Riboflavin supplier | CasNO.83-88-5

Name
Riboflavin
EINECS 201-507-1
CAS No. 83-88-5
Article Data91
CAS DataBase
Density 1.65 g/cm³
Solubility Water solubility: 0.07 g/L (20 °C)
Melting Point 290 °C (dec.)(lit.)
Formula C₁₇H₂₀N₄O₆
Boiling Point 504.93°C (rough estimate)
Molecular Weight 376.369
Flash Point 9℃
Transport Information
Appearance Yellow to orange/yellow crystalline powder
Safety 24/25
Risk Codes 11-23/24/25-39/23/24/25
Molecular Structure
Hazard Symbols F,T
Synonyms Vitamin B2-Riboflavin(Vitamin B2)USP/BP/EP;VB2 (Riboflavin);(-)-Riboflavin;1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol;6,7-Dimethyl-9-ribitylisoalloxazine;Beflavin;Beflavine;Benzo[g]pteridine-2,4(3H,10H)-dione,7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-;C.I. 50900;C.I. FoodYellow 15;D-Ribitol,1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-;E101;E 101 (dye);Flavaxin;Flavin BB;Flaxain;Food Yellow 15;Hyre;Lactobene;Lactoflavin;Lactoflavine;NCI 0033298;San Yellow B;Vitaflavine;Vitamin G;Vitamin B2;
PSA 161.56000
LogP -1.67520

Synthetic route

: 67-52-7
BARBITURIC ACID

: 21037-26-3
N-<3,4-dimethyl-6-(phenylazo)phenyl>-D-ribitylamine

: 83-88-5
riboflavin

Conditions

Conditions	Yield
In acetic acid; butan-1-ol for 4h; Heating;	74.2%

: 752-13-6
tetra-O-acetyl riboflavin

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With calcium methylate
With sodium methylate

: 123-91-1
1,4-dioxane

: 67-52-7
BARBITURIC ACID

: 21037-26-3
N-<3,4-dimethyl-6-(phenylazo)phenyl>-D-ribitylamine

: 64-19-7
acetic acid

: 83-88-5
riboflavin

...Expand

: 67-52-7
BARBITURIC ACID

: 123128-64-3
1-(2-biphenyl-2-ylazo-4,5-dimethyl-anilino)-D-1-deoxy-ribitol

: 83-88-5
riboflavin

: 87-39-8
violuric acid

: 3051-94-3
3,4-dimethyl-N-ribitylaniline

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With boric acid
With propionic acid

: 2535-20-8
6,7-dimethyl-8-ribityllumazine

: 431-03-8
dimethylglyoxal

: 83-88-5
riboflavin

: 83959-96-0
4a-Hydroperoxy-7,8-dimethyl-10-((2S,3S,4R)-2,3,4,5-tetrahydroxy-pentyl)-5,10-dihydro-4aH-benzo[g]pteridine-2,4-dione

: 83-88-5
riboflavin

Conditions

Conditions	Yield
In water Rate constant;

: 132855-95-9
4a-(1-Hydroxy-ethylperoxy)-7,8-dimethyl-10-((2S,3S,4R)-2,3,4,5-tetrahydroxy-pentyl)-5,10-dihydro-4aH-benzo[g]pteridine-2,4-dione

A: 19393-68-1
1-hydroxyethylhydroperoxide

B: 83-88-5
riboflavin

Conditions

Conditions	Yield
In water Rate constant;

: 132855-96-0
4a-(2-Hydroxy-2-methyl-propylperoxy)-7,8-dimethyl-10-((2S,3S,4R)-2,3,4,5-tetrahydroxy-pentyl)-5,10-dihydro-4aH-benzo[g]pteridine-2,4-dione

A: 69515-12-4
peroxy-t-butanol

B: 83-88-5
riboflavin

Conditions

Conditions	Yield
In water Rate constant;

: 114590-52-2
lampteroflavin

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With hydrogenchloride at 60℃; for 1.33333h;

: 71491-00-4
2,5-diamino-6-hydroxy-4-ribitylaminopyrimidine-5'-phosphate

: 431-03-8
dimethylglyoxal

: 83-88-5
riboflavin

Conditions

Conditions	Yield
1) cell extract of Candida guilliermondii ATCC 9058, phosphatase; 2) riboflavin synthase; Yield given. Multistep reaction;

: 431-03-8
dimethylglyoxal

: 71491-00-4
2,5-Diamino-6-ribitylamino-4(3H)-pyrimidinone 5'-phosphate

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With phosphate buffer; 1,4-dithio-erythritol; pyrimidine deaminase; riboflavin synthase; magnesium chloride; alkaline phosphatase 1.) 1 h, 37 deg C, 2.) 3 h, 37 deg C; Yield given. Multistep reaction;

: 13345-95-4
RFH2

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With HEPES buffer; Hg(II)*EDTA In water at 30℃; Rate constant; at pH 7.4;
With C12H13O2(CH3)3(O)(OO) In acetonitrile at 37℃; for 0.166667h; pH=7.4; aq. phosphate buffer; Inert atmosphere;	100 %Spectr.
With Lactococcus lactis dihydroorotate dehydrogenase; oxygen Kinetics; Reagent/catalyst; Enzymatic reaction;

: 61066-33-9, 61066-34-0, 61066-35-1, 61127-23-9
pyrimidine-2,4,5,6(1H,3H)-tetraone

1-<2-amino-4,5-dimethyl-anilino>-D-1-deoxy-ribitol: 1-<2-amino-4,5-dimethyl-anilino>-D-1-deoxy-ribitol

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With boric acid; acetic acid
With ethanol; tin(ll) chloride
With ethanol; hydrogen sulfide
With boric acid; acetic acid

: 699-40-1
5,5-Dichloro-barbituric acid

1-<2-amino-4,5-dimethyl-anilino>-D-1-deoxy-ribitol: 1-<2-amino-4,5-dimethyl-anilino>-D-1-deoxy-ribitol

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With pyridine

: 511-67-1
5,5-dibromobarbituric acid

1-<2-amino-4,5-dimethyl-anilino>-D-1-deoxy-ribitol: 1-<2-amino-4,5-dimethyl-anilino>-D-1-deoxy-ribitol

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With acetic acid

: 21037-26-3
N-<3,4-dimethyl-6-(phenylazo)phenyl>-D-ribitylamine

5,5'-dihydroxy-<5,5'>bipyrimidinyl-2,4,6,2',4',6'-hexaone: 5,5'-dihydroxy-<5,5'>bipyrimidinyl-2,4,6,2',4',6'-hexaone

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With hydrogenchloride; palladium on activated charcoal; nitrogen anschliessenden Einwirken von Luft auf die Reaktionsloesung;

<4,5-dimethyl-2-D-ribitol-1-ylamino-phenyl>-carbamic acid ethyl ester: <4,5-dimethyl-2-D-ribitol-1-ylamino-phenyl>-carbamic acid ethyl ester

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With sodium hydroxide Erwaermen des Reaktionsprodukts mit Alloxan in wss. HCl bzw. in Essigsaeure unter Zusatz von Natriumacetat und H3BO3;
With potassium hydroxide Erwaermen des Reaktionsprodukts mit Alloxan in wss. HCl bzw. in Essigsaeure unter Zusatz von Natriumacetat und H3BO3;

: 7647-01-0
hydrogenchloride

: 146-14-5
flavin adenine dinucleotide

A: 1088-56-8
lumiflavin

B: 61-19-8
5'-adenosine monophosphate

C: 146-17-8
Flavin mononucleotide

D: 83-88-5
riboflavin

Conditions

Conditions	Yield
Adenin, O5-Phosphono-D-ribose und H3PO4;

...Expand

: 7732-18-5
water

: 146-14-5
flavin adenine dinucleotide

A: 1088-56-8
lumiflavin

B: 61-19-8
5'-adenosine monophosphate

C: 146-17-8
Flavin mononucleotide

D: 83-88-5
riboflavin

Conditions

Conditions	Yield
vom pH 3-9;
bei der Einwirkung von Sonnenlicht;

...Expand

: 146-17-8
Flavin mononucleotide

A: 1088-56-8
lumiflavin

B: 83-88-5
riboflavin

C lumichrome: lumichrome

Conditions

Conditions	Yield
mit sichtbares oder ultraviolettes Licht.Irradiation;

...Expand

: riboflavin

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With Escherichia coli ribonucleotide reductase active-R2 form In phosphate buffer at 22℃; pH=7.0; Kinetics; Further Variations:; Reagents; Oxidation;

: riboflavin

A: 13345-95-4
RFH2

B: 83-88-5
riboflavin

Conditions

Conditions	Yield
In phosphate buffer at 22℃; pH=7.0; Kinetics; disproportionation;

: 2535-20-8
6,7-dimethyl-8-ribityllumazine

A: 14036-89-6, 17014-74-3
5-amino-6-(D-ribitylamino)uracil

B: 83-88-5
riboflavin

Conditions

Conditions	Yield
With ethylenediaminetetraacetic acid; riboflavin synthase from Escherichia coli; 5-(4-phosphonobutyryl)amino-6-D-ribitylaminouracil In phosphate buffer Enzyme kinetics; Further Variations:; Reagents;
With Tris hydrochloride buffer; sodium chloride In dimethyl sulfoxide at 27℃; pH=7.0; Enzyme kinetics; Further Variations:; Reagents;
With recombinant Mycobacterium tuberculosis riboflavin synthase; 2-(2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)ethyl dihydrogen phosphate; water; tris hydrochloride; sodium chloride; D,L-dithiothreitol In dimethyl sulfoxide at 27℃; for 0.5h; pH=7; Kinetics; Reagent/catalyst; aq. buffer; Enzymatic reaction;

: 3051-94-3
3,4-dimethyl-N-ribitylaniline

A: 83-88-5
riboflavin

B Na2S2O4: Na2S2O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) 34percent aq. HCl, 40percent aq. sodium nitrite, 2.) 20percent aq. sodium acetate / 1.) 15-20 deg C, 2.) 2 h 2: 74.2 percent / butan-1-ol; acetic acid / 4 h / Heating View Scheme

: 3051-94-3
3,4-dimethyl-N-ribitylaniline

: 83-88-5
riboflavin

: 911650-71-0
L-ribo-5-(3.4-dimethyl-anilino)-1.2.3.4-tetraacetoxy-pentane

: 83-88-5
riboflavin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: und Behandlung des Reaktionsprodukts mit Natriummethylat in Methanol View Scheme
Multi-step reaction with 2 steps 1: und Behandlung des Reaktionsprodukts mit Natriummethylat in Methanol View Scheme

: 67-52-7
BARBITURIC ACID

: 21037-26-3, 113473-93-1
1-N-D-ribitylamino-3,4-dimethyl-6-phenylazobenzene

: 83-88-5
riboflavin

Conditions

Conditions	Yield
With Trimethylacetic acid In 2-methyl-propan-1-ol
In 2-methyl-propan-1-ol
In 2-methyl-propan-1-ol

: 67-52-7
BARBITURIC ACID

: 110-19-0
2-methylpropyl acetate

: 21037-26-3, 113473-93-1
1-N-D-ribitylamino-3,4-dimethyl-6-phenylazobenzene

: 83-88-5
riboflavin

Conditions

Conditions	Yield
In 2-methyl-propan-1-ol; acetic acid

...Expand

: 108-24-7
acetic anhydride

: 83-88-5
riboflavin

: 752-13-6
tetra-O-acetyl riboflavin

Conditions

Conditions	Yield
With pyridine at 120℃; for 0.333333h;	99%
With perchloric acid In acetic acid at 40℃; for 0.5h;	95%
With perchloric acid In acetic acid at 40℃; for 1h; Inert atmosphere;	95%

: 83-88-5
riboflavin

: 4250-90-2
Formylmethylflavin

Conditions

Conditions	Yield
Stage #1: riboflavin With sulfuric acid; periodic acid In water at 0℃; for 0.5h; Darkness; Stage #2: With sodium carbonate In water at 18 - 25℃; pH=3.8 - 3.9;	94%
Stage #1: riboflavin With sulfuric acid; periodic acid at 20℃; for 1h; Stage #2: In toluene Heating; Further stages.;	49%
With sulfuric acid; periodic acid unter Liehtausschluss;

: 1125-88-8
benzaldehyde dimethyl acetal

: 83-88-5
riboflavin

: 10-(2,6-diphenyl-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-ylmethyl)-7,8-dimethyl-10H-benzo[g]pteridine-2,4-dione

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In N,N-dimethyl-formamide Etherification;	90%

: 15529-90-5
(triethylphosphine)chlorogold(I)

: 83-88-5
riboflavin

: 97860-53-2
(C2H5)3PAu(C17H19N4O6)*H2O

Conditions

Conditions	Yield
With NaOH; H2O In water addn. of solid Et3PAuCl to a soln. of riboflavin in aq. NaOH; the mixt.was shaken for 5 min.;; the ppt. was filtered off, washed with H2O, acetone, and Et2O, and dried under vac.; elem. anal.;;	90%

: 83-88-5
riboflavin

: 825630-94-2
10-(2,2-dihydroxylethyl)-7,8-dimethylisoalloxazine

Conditions

Conditions	Yield
With sodium periodate In water at 25℃; for 17h;	86%
With sodium periodate In water at 20℃; for 16h; Darkness;	76%
With sodium periodate
With sodium periodate In water for 3h;
With sodium periodate In water at 20℃;

: 83-88-5
riboflavin

: 18650-70-9
6,7-dimethyl-1-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-1,4-dihydroquinoxaline-2,3-dione

Conditions

Conditions	Yield
Stage #1: riboflavin With sodium hydroxide at 90℃; for 1h; Stage #2: With dihydrogen peroxide In water at 0 - 20℃; for 12h;	84%
Multi-step reaction with 2 steps 1.1: sodium hydroxide / 1 h / 90 °C / Inert atmosphere 1.2: 0 °C / pH 3 / Inert atmosphere 2.1: sodium hydroxide; dihydrogen peroxide / water / 12 h / 0 - 20 °C / Inert atmosphere View Scheme

: 103-82-2
phenylacetic acid

: 83-88-5
riboflavin

: 1043592-39-7
tetraphenylacetyl riboflavin

Conditions

Conditions	Yield
With pyridine; trichlorophosphate at 73℃; for 4.5h; Inert atmosphere;	82%

: 108-24-7
acetic anhydride

: 64-19-7
acetic acid

: 83-88-5
riboflavin

: 752-13-6
tetra-O-acetyl riboflavin

Conditions

Conditions	Yield
With perchloric acid at 45℃; for 0.666667h; Schlenk technique;	80%
With perchloric acid

...Expand

: 4530-20-5
BOC-glycine

: 83-88-5
riboflavin

: tert-butoxycarbonylaminoacetic acid 2,3,4-tris-(2-tert-butoxycarbonylamino-acetoxy)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-10-yl)-pentyl ester

Conditions

Conditions	Yield
With dmap; triethylamine; diisopropyl-carbodiimide In N,N-dimethyl-formamide at 50℃; Darkness; Inert atmosphere;	78%

: 83-88-5
riboflavin

: 64480-68-8
6,7-dimethyl-3-oxo-4-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-3,4-dihydroquinoxaline-2-carboxylic acid

Conditions

Conditions	Yield
Stage #1: riboflavin With sodium hydroxide at 90℃; for 1h; Inert atmosphere; Stage #2: With sulfuric acid In water at 0℃; pH=3; Inert atmosphere;	74%
Stage #1: riboflavin With water; sodium hydroxide at 90℃; for 2h; Stage #2: With acetic acid at 20℃; pH=6;	41 g

: 67-64-1
acetone

: 83-88-5
riboflavin

: 95985-96-9
7,8-dimethyl-10-(((4S,4'R,5S)-2,2,2',2'-tetramethyl-[4,4'-bi(1,3-dioxolan)]-5-yl)methyl)benzo[g]pteridine-2,4(3H,10H)-dione

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 20℃; for 72h;	72%

: 83-88-5
riboflavin

: 1086-80-2
lumichrome

Conditions

Conditions	Yield
With sodium periodate In water at 50℃; for 24h;	70%
With sodium periodate In water at 50℃; for 24h;	70%
With methanol; air

: 112-67-4
n-hexadecanoyl chloride

: 83-88-5
riboflavin

: 752-75-0
tetra-O-palmitoyl riboflavin

Conditions

Conditions	Yield
With dmap at 40℃; for 12h; Inert atmosphere;	67%

: 76-83-5
trityl chloride

: 83-88-5
riboflavin

: 136738-76-6
5'-O-Trityl riboflavin

Conditions

Conditions	Yield
With pyridine at 110℃; for 1h;	64%
In pyridine at 110℃; for 4h;	63.4%
With pyridine

: 75-07-0
acetaldehyde

: 83-88-5
riboflavin

: 1083303-50-7
5-ethyl-1,5-dihydroriboflavin

Conditions

Conditions	Yield
With palladium 10% on activated carbon; water; hydrogen In ethanol at 20℃; for 168h;	62%

: 93429-66-4
4-vinylbenzaldehyde diethyl acetal

: 83-88-5
riboflavin

: 2',4'-p-vinylbenzylideneribo flavin

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate; hydroquinone In N,N-dimethyl-formamide at 80℃; for 3h; Inert atmosphere;	56%

: 1125-88-8
benzaldehyde dimethyl acetal

: 83-88-5
riboflavin

: 278793-03-6
10-[(2S,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]methyl-7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In N,N-dimethyl-formamide Etherification;	50%
With (1S)-10-camphorsulfonic acid In N,N-dimethyl-formamide at 80℃; Darkness;	22%
With camphor-10-sulfonic acid In N,N-dimethyl-formamide at 50℃; under 45.0045 Torr; for 16h;	14%

: 13C10/15N5-adenosine triphosphate

: 83-88-5
riboflavin

: C17(13)C10H33N4(15)N5O15P2

Conditions

Conditions	Yield
With Phosphocreatine; creatine phosphokinase from rabbit muscle; corynebacterium ammoniagenes FAD synthetase; 2-amino-2-hydroxymethyl-1,3-propanediol; magnesium chloride In aq. buffer at 25℃; for 24h; pH=7.6; Enzymatic reaction;	47%

: 14470-28-1
mono-4-methoxytrityl chloride

: 83-88-5
riboflavin

: C37H36N4O7

Conditions

Conditions	Yield
With pyridine at 100℃; Inert atmosphere;	44%

: [2,8-3H]ATP

: 83-88-5
riboflavin

: C27H31(3)H2N9O15P2

Conditions

Conditions	Yield
With Phosphocreatine; creatine phosphokinase from rabbit muscle; corynebacterium ammoniagenes FAD synthetase; ATP; 2-amino-2-hydroxymethyl-1,3-propanediol; magnesium chloride In aq. buffer at 25℃; for 24h; pH=7.6; Enzymatic reaction;	40%

: 112-16-3
n-dodecanoyl chloride

: 83-88-5
riboflavin

: 5'-lauric acid monoester of riboflavin

Conditions

Conditions	Yield
With pyridine; triethylamine In 1,4-dioxane; water at 5 - 10℃; for 0.583333h;	38.9%

: 40615-36-9
4,4'-dimethoxytrityl chloride

: 83-88-5
riboflavin

: 10-(5-(bis(4-methoxyphenyl)(phenyl)-methoxy)-2,3,4-trihydroxypentyl)-7,8-dimethylbenzo[g]-pteridine-2,4(3H,10H)-dione

Conditions

Conditions	Yield
With pyridine; dmap; triethylamine at 20℃; Inert atmosphere;	35%

: 57392-44-6
2,2,2-trichloroethyl butyrate

: 83-88-5
riboflavin

: 20704-80-7
riboflavin 5'-monobutyrate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 45℃; for 144h; subtilisin;	25%

: C28H36N10O15P4

: 83-88-5
riboflavin

: 740066-94-8
C31H39N9O14P2

Conditions

Conditions	Yield
In dimethyl sulfoxide at 65℃;	12.5%

: 106-31-0
butanoic acid anhydride

: 83-88-5
riboflavin

A: 20704-80-7
riboflavin 5'-monobutyrate

B: 752-56-7
riboflavin 2’,3’,4’,5’-tetrabutanoate

Conditions

Conditions	Yield
With pyridine at 37℃; for 14h;	A 10% B n/a

...Expand

: 623-65-4
palmitic anhydride

: 83-88-5
riboflavin

: 73130-89-9
riboflavin-5'-monopalmitate

Conditions

Conditions	Yield
With pyridine at 120 - 140℃; for 3h;	9.8%

Riboflavin History

Riboflavin (CAS NO.83-88-5) was originally considered to have two components, a heat-labile vitamin B₁ and a heat-stable vitamin B₂ . In the 1920s, it was thought to be the factor necessary for preventing pellagra. Paul Gyorgi in Heidelberg was investigating egg white injury in rats in 1923, the curative factor for this condition was called vitamin H. Since both pellagra and vitamin H deficiency were associated with dermatitis, Gyorgi decided to test the effect of vitamin B₂ on vitamin H deficiency in rat. In 1933, Kuhn, Gyorgy, and Wagner found that thiamin-free extracts of yeast, liver, or rice bran prevented the growth failure of rats fed a thiamin supplemented diet. This observation enabled them to develop a rapid chemical and bioassay to isolate the factor from egg white in 1933, they called it Ovoflavin.

Riboflavin Specification

The Riboflavin, with the CAS registry number 83-88-5, is also known as 7,8-Dimethyl-10-ribitylisoalloxazine; Lactoflavine; Vitamin B2.It belongs to the product categories of Vitamin Ingredients;Miscellaneous Compounds;Chiral Reagents;Heterocycles;Intermediates & Fine Chemicals. Its EINECS number is 201-507-1.This chemical's molecular formula is C₁₇H₂₀N₄O₆ and molecular weight is 376.37. What's more,Its systematic name is Riboflavin. It is nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables. The richest natural source is yeast. It occurs in the free form only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. And it is Stable, but light-sensitive. Incompatible with strong oxidizing agents, reducing agents, bases, calcium, metallic salts. May be moisture sensitive.when you use it, avoid contact with skin and eyes.

Physical properties about Riboflavin are:(1)ACD/LogP: 0.095; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.10; (4)ACD/LogD (pH 7.4): 0.09; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 26.82; (8)ACD/KOC (pH 7.4): 26.74; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.733; (13)Molar Refractivity: 91.104 cm³; (14)Molar Volume: 227.51 cm³; (15)Surface Tension: 70.2760009765625 dyne/cm; (16)Density: 1.654 g/cm³;

You can still convert the following datas into molecular structure:
(1)SMILES:O=C2/N=C\1/N(c3cc(c(cc3/N=C/1C(=O)N2)C)C)C[C@H](O)[C@H](O)[C@H](O)CO;
(2)Std. InChI:InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1;
(3)Std. InChIKey:AUNGANRZJHBGPY-SCRDCRAPSA-NC;

The toxicity data of Riboflavin as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	oral	> 2gm/kg (2000mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 75, 1942.
rat	LD50	intraperitoneal	560mg/kg (560mg/kg)	KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED BEHAVIORAL: FOOD INTAKE (ANIMAL)	Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 75, 1942.
rat	LD50	intravenous	50mg/kg (50mg/kg)		FAO Nutrition Meetings Report Series. Vol. 46A, Pg. 20, 1969.
rat	LD50	oral	> 10gm/kg (10000mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 75, 1942.
rat	LD50	subcutaneous	5gm/kg (5000mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 75, 1942.

Product Name

Riboflavin

Synthetic route

Riboflavin History

Riboflavin Specification

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