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Folinic acid

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Name

Folinic acid

EINECS 200-361-6
CAS No. 58-05-9 Density 1.68 g/cm3
Solubility Melting Point
Formula C20H23N7O7 Boiling Point
Molecular Weight 473.44 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 58-05-9 (L-Glutamic acid,N-[4-[[(2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-) 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;

 

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 C20H23N7O7 and 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

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