Folinic acid supplier | CasNO.58-05-9

Name
Folinic acid
EINECS 200-361-6
CAS No. 58-05-9
Article Data18
CAS DataBase
Density 1.68 g/cm³
Solubility >1350g/L(25 oC)
Melting Point 245ºC (decomp)
Formula C₂₀H₂₃N₇O₇
Boiling Point 573.92°C (rough estimate)
Molecular Weight 473.445
Flash Point
Transport Information
Appearance Crystals from water with 3 mol of water of crystallization.
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glutamicacid, N-[p-[[(2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-,L- (8CI);L-Glutamic acid,N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-(9CI);(6R,S)-5-Formyltetrahydrofolate;5-Formyl-5,6,7,8-tetrahydrofolic acid;5-Formyltetrahydrofolic acid;5-Formyltetrahydropteroylglutamic acid;CF;Folinic acid;Folinic acid-SF;Leucal;Leucoverin;Leucovorin;Levoleucovorin;N5-Formyl-5,6,7,8-tetrahydrofolic acid;N5-Formyltetrahydrofolic acid;Welcovorin;l-Leucovorin;
PSA 219.84000
LogP 1.15290

Synthetic route

: 6035-45-6
Leucovorin Calcium

: 58-05-9
folinic acid

Conditions

Conditions	Yield
With hydrogenchloride In water at 6 - 10℃; for 4h; pH=2.8 - 3.2;	n/a
With acetic acid In water at 2 - 12℃; pH=2.5 - 3.5;

: 58-05-9
folinic acid

: disodium leucovorin

Conditions

Conditions	Yield
With sodium hydroxide In water pH=8.0;

: 58-05-9
folinic acid

: 10016-20-3
alpha cyclodextrin

: 59-30-3
folate

Conditions

Conditions	Yield
In water

: 58-05-9
folinic acid

: 442634-22-2, 807328-63-8
N5,N10-methenyl-tetrahydrofolic acid

Conditions

Conditions	Yield
With 1,4-bis(2-hydroxyethyl)piperazine; 5,10-methenyltetrahydrofolate synthetase; MgATP; 2-hydroxyethanethiol at 25℃; pH=6; Kinetics; Reagent/catalyst;
With hydrogenchloride In water at 20℃; for 4h; pH=1.9;

: 58-05-9
folinic acid

: N10-formyltetrahydrofolate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogenchloride / water / 4 h / 20 °C / pH 1.9 2: 0.5 h / 30 °C / pH 7.5 / aq. buffer View Scheme

: 58-05-9
folinic acid

: tetrahydrofolic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogenchloride / water / 4 h / 20 °C / pH 1.9 2: 0.5 h / 30 °C / pH 7.5 / aq. buffer 3: recombinant formyltransferase Rft; recombinant monooxygenase Rmo; oxygen; NADPH; flavin adenine dinucleotide / 4 h / 30 °C / pH 7.5 / aq. buffer; Enzymatic reaction View Scheme

: 58-05-9
folinic acid

: Folitixorin

Conditions

Conditions	Yield
With hydrogenchloride; 2-hydroxyethanethiol In water at 20℃; for 4h; pH=1.9;

Folinic acid Specification

The Leucovorin, with the CAS registry number 58-05-9, is also known as Folinic acid . It belongs to the product category of Pharmaceutical Raw Materials. Its EINECS registry number is 200-361-6. This chemical's molecular formula is C₂₀H₂₃N₇O₇and molecular weight is 473.44. What's more, its IUPAC name is 2-[[4-[(2-Amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid and systematic name is called N-(4-{[(2-Amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid. This chemical's classification codes are Growth Substances; Micronutrients; Vitamin B Complex and Vitamins. In addition, it is generally administered as calcium or sodium folinate and is an adjuvant used in cancer chemotherapy involving the drug methotrexate. It is also used in synergistic combination with the chemotherapy agent 5-Fluorouracil.

Physical properties about Leucovorin are: (1) ACD/LogP: -3.19; (2) # of Rule of 5 Violations: 2; (3) ACD/LogD (pH 5.5): -6.09; (4) ACD/LogD (pH 7.4): -7.81; (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: 14; (10) #H bond donors: 8; (11) #Freely Rotating Bonds: 9; (12) Polar Surface Area: 135.61 Å²; (13) Index of Refraction: 1.748; (14) Molar Refractivity: 114.17 cm³; (15) Molar Volume: 280.7 cm³; (16) Polarizability: 45.26×10^-24cm³; (17) Surface Tension: 80.9 dyne/cm; (18) Density: 1.68 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)c1ccc(cc1)NCC3N(/C2=C(/N/C(=N\C2=O)N)NC3)C=O)CCC(=O)O
(2) InChI: InChI=1/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1
(3) InChIKey: VVIAGPKUTFNRDU-ABLWVSNPBN

Product Name

Folinic acid

Synthetic route

Folinic acid Specification

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