chempirical

Leucovorin

C20H23N7O7CAS 58-05-9473.45 g/mol

Open in Covalent MOL file
HNNOHHNHNHNOHNOOHOHONO
AmideCarboxylic acidPhenolSecondary amine

Properties

Molecular formula
C20H23N7O7
Molar mass
473.45 g/mol
Exact mass
473.1659 Da
Melting point
245 °C (decomposes)
logP
-0.49Crippen estimate
Polar surface area
220.8 Ų
H-bond donors / acceptors
8 / 9
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
58-05-9
SMILES
N=c1nc(O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O
InChIKey
VVIAGPKUTFNRDU-ABLWVSNPSA-N
InChI
InChI=1S/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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all
  • L-Glutamic acid, N-[4-[[(2-amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
  • Glutamic acid, N-[p-[[(2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-, L-
  • L-Glutamic acid, N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
  • N-[4-[[(2-Amino-5-formyl-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid
  • Folinic acid
  • N5-Formyl-5,6,7,8-tetrahydrofolic acid
  • 5-Formyl-5,6,7,8-tetrahydrofolic acid
  • N5-Formyltetrahydrofolic acid
  • 5-Formyltetrahydropteroylglutamic acid
  • Folinic acid-SF
  • Leucal
  • 5-Formyltetrahydrofolic acid
  • l-Leucovorin
  • Welcovorin
  • Leucoverin
  • CF
  • (6R,S)-5-Formyltetrahydrofolate
  • Kunyrin
  • N5-Formyl-THF

Work with Leucovorin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methyltetrahydrofolic acid134-35-079 % similar Levomefolic acid31690-09-279 % similar Tetrahydrofolic acid135-16-070 % similar Calcium folinate1492-18-869 % similar Calcium levofolinate80433-71-269 % similar Dihydrofolic acid4033-27-663 % similar Folic acid59-30-360 % similar Pemetrexed137281-23-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook