chempirical

Levomefolic acid

C20H25N7O6CAS 31690-09-2459.46 g/mol

Open in Covalent MOL file
NOHNNHNHNHNHONHOHOOOH
AmideCarboxylic acidPhenolSecondary amineTertiary amine

Properties

Molecular formula
C20H25N7O6
Molar mass
459.46 g/mol
Exact mass
459.1866 Da
logP
-0.01Crippen estimate
Polar surface area
203.8 Ų
H-bond donors / acceptors
8 / 9
Rotatable bonds
9
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
31690-09-2
SMILES
CN1c2c(O)nc(=N)[nH]c2NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
InChIKey
ZNOVTXRBGFNYRX-STQMWFEESA-N
InChI
InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • L-Glutamic acid, N-[4-[[[(6S)-2-amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-
  • Glutamic acid, N-[p-[[(2-amino-5,6,7,8-tetrahydro-4-hydroxy-5-methyl-6-pteridinyl)methyl]amino]benzoyl]-, L-(-)-
  • L-Glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, (S)-
  • L-Glutamic acid, N-[4-[[[(6S)-2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-
  • N-[4-[[[(6S)-2-Amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-L-glutamic acid
  • l-N5-Methyl-L-tetrahydrofolic acid
  • (6S)-5-Methyltetrahydrofolic acid
  • 5-Methyl-(6S)-tetrahydrofolic acid
  • LMSR
  • L-Methylfolate

Work with Levomefolic acid

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

Leucovorin58-05-979 % similar Tetrahydrofolic acid135-16-071 % similar Dihydrofolic acid4033-27-665 % similar Folic acid59-30-361 % similar Calcium folinate1492-18-854 % similar Calcium levofolinate80433-71-254 % similar Pemetrexed137281-23-354 % similar Levomefolate glucosamine1181972-37-153 % similar

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

Same formula

5-Methyltetrahydrofolic acid134-35-0

Elsewhere

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