Product Name

  • Name

    Riboflavin-5-phosphate sodium

  • EINECS 204-988-6
  • CAS No. 130-40-5
  • Article Data5
  • CAS DataBase
  • Density
  • Solubility almost transparency
  • Melting Point >300°C
  • Formula C17H21 N4 O9 P . Na
  • Boiling Point
  • Molecular Weight 478.331
  • Flash Point
  • Transport Information
  • Appearance solid
  • Safety 22-24/25-37/39-26
  • Risk Codes 36/38
  • Molecular Structure Molecular Structure of 130-40-5 (Riboflavin-5-phosphate sodium)
  • Hazard Symbols IrritantXi
  • Synonyms Riboflavin5'-(dihydrogen phosphate), monosodium salt (9CI);Riboflavine, 5'-phosphate, sodium salt(7CI);Alloxazine mononucleotide sodium salt;Coflavinase;Cytoflav;Hyryl;Riboflavin 5'-phosphate ester monosodium salt;Riboflavin monophosphate monosodium salt;Riboflavin sodium phosphate;Riboflavine monosodium 5'-phosphate;Riboflavinesodium phosphate;Sodium FMN;Sodium riboflavin-5'-phosphate;
  • PSA 220.73000
  • LogP -1.12000

Synthetic route

1,5-dihydroflavin

1,5-dihydroflavin

sodium riboflavin-5'-monophosphate
130-40-5

sodium riboflavin-5'-monophosphate

Conditions
ConditionsYield
With oxygen In aq. phosphate buffer at 24.84℃; for 0.166667h; pH=6; Kinetics; Inert atmosphere; Sealed tube;
riboflavin
83-88-5

riboflavin

sodium riboflavin-5'-monophosphate
130-40-5

sodium riboflavin-5'-monophosphate

Conditions
ConditionsYield
Stage #1: riboflavin With pyridine; water; trichlorophosphate In acetonitrile at 15℃; for 16h;
Stage #2: With hydrogenchloride In water at 50℃; for 6h;
Stage #3: With sodium hydroxide In water at 40℃; for 12h; pH=9;
Stage #1: riboflavin With pyridine; trichlorophosphate In water; acetonitrile at 15℃; for 16h;
Stage #2: With hydrogenchloride In water; acetonitrile at 50℃; for 6h;
Stage #3: With sodium hydroxide at 40℃; for 12h; pH=9;
Stage #1: riboflavin With pyridine; trichlorophosphate In water; acetonitrile at 15℃; for 16h;
Stage #2: With hydrogenchloride In water; acetonitrile at 50℃; for 6h;
Stage #3: With sodium hydroxide In water; acetonitrile at 50℃; for 12h; pH=9;
Stage #1: riboflavin With pyridine; trichlorophosphate In water; acetonitrile at 10 - 35℃; for 1.5h;
Stage #2: With hydrogenchloride In water; acetonitrile at 50℃; for 3h;
Stage #3: With sodium hydroxide In water; acetonitrile at 35℃; for 0.5h; pH=4.5; Temperature; pH-value;
N6-(trifluoroacetamidohexyl)adenosine 5'-monophosphate
66060-76-2

N6-(trifluoroacetamidohexyl)adenosine 5'-monophosphate

sodium riboflavin-5'-monophosphate
130-40-5

sodium riboflavin-5'-monophosphate

A

C35H45F3N10O16P2

C35H45F3N10O16P2

B

C36H43F3N10O17P2

C36H43F3N10O17P2

Conditions
ConditionsYield
With 18-crown-6 ether; 1,1'-carbonyldiimidazole 1.) DMF, room temperature, 3 h, 2.) room temperature, overnight; 35-40 deg C, 20 h; Multistep reaction;
...Expand
sodium riboflavin-5'-monophosphate
130-40-5

sodium riboflavin-5'-monophosphate

1,5-dihydroflavin

1,5-dihydroflavin

Conditions
ConditionsYield
With C15H12IrN2O2(1-); hydrogen In aq. phosphate buffer at 24.84℃; for 0.166667h; pH=6; Kinetics; Reagent/catalyst; Inert atmosphere; Sealed tube;
sodium riboflavin-5'-monophosphate
130-40-5

sodium riboflavin-5'-monophosphate

7H-purin-6-ylamine
73-24-5

7H-purin-6-ylamine

C5H5N5*C17H20N4O9P(1-)*Na(1+)

C5H5N5*C17H20N4O9P(1-)*Na(1+)

Conditions
ConditionsYield
In aq. buffer at 30 - 80℃; pH=4; Sonication;
sodium riboflavin-5'-monophosphate
130-40-5

sodium riboflavin-5'-monophosphate

reduced flavin mononucleotide
5666-16-0

reduced flavin mononucleotide

Conditions
ConditionsYield
With hydrogen; hydrogenase 1 from Escherichia coli In aq. buffer at 25℃; under 750.075 Torr; for 3.5h; pH=8; Glovebox; Sealed tube; Enzymatic reaction;

Riboflavin-5-phosphate sodium Specification

The Riboflavin 5'-phosphate sodium, with the cas registry number 130-40-5, has the IUPAC name of  sodium [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl]hydrogen phosphate. This chemical is soluble in water while insoluble in ethanol, and it is incompatible with strong oxidizing agents, reducing agents, bases, calcium, metallic salts. Besides, its product categories are including Biochemistry; Vitamins; Vitamins and derivatives; Vitamin Ingredients. As to its usage, being a kind of vitamin medicines for the treatment of a variety of VB2 deficiency, it is usually used in food additive with great amount.

The characteristics of this kind of chemical are as follows: (1)ACD/LogP: -2.19; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.52; (4)ACD/LogD (pH 7.4): -6.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 158.6; (13)Exact Mass: 478.086559; (14)MonoIsotopic Mass: 478.086559; (15)Topological Polar Surface Area: 204; (16)Heavy Atom Count: 32; (17)Formal Charge: 0; (18)Complexity: 856.

When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. Being a kind of irritant chemical to eyes and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable gloves and eye/face protection and avoid contacting with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Lastly, remember not to breathe dust while using.

Additionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)[O-])O)O)O.[Na+]
(2)Isomeric SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)[O-])O)O)O.[Na+]
(3)InChI: InChI=1S/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17
(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/t11-,12+,14-;/m1./s1
(4)InChIKey: OHSHFZJLPYLRIP-LQDWTQKMSA-M

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