chempirical

Tetrahydrofolic acid

C19H23N7O6CAS 135-16-0445.44 g/mol

Open in Covalent MOL file
HNNOHHNHNHNOHNOOHOHONH
AmideCarboxylic acidPhenolSecondary amine

Properties

Molecular formula
C19H23N7O6
Molar mass
445.44 g/mol
Exact mass
445.1710 Da
logP
-0.04Crippen estimate
Polar surface area
212.6 Ų
H-bond donors / acceptors
9 / 9
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
135-16-0
SMILES
N=c1nc(O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2
InChIKey
MSTNYGQPCMXVAQ-KIYNQFGBSA-N
InChI
InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/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-[[(2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
  • L-Glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
  • Glutamic acid, N-[p-[[(2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, L-
  • N-[4-[[(2-Amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid
  • THFA
  • 5,6,7,8-Tetrahydrofolic acid
  • Tetrahydropteroylglutamic acid
  • (-)-L-5,6,7,8-Tetrahydrofolic acid
  • L-5,6,7,8-Tetrahydrofolic acid
  • (2S)-2-(4-(((2-Imino-4-oxo-1,2,3,4,5,6,7,8-octahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid

Work with Tetrahydrofolic 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

5-Methyltetrahydrofolic acid134-35-071 % similar Levomefolic acid31690-09-271 % similar Leucovorin58-05-970 % similar Dihydrofolic acid4033-27-668 % similar Folic acid59-30-366 % similar Pemetrexed137281-23-357 % similar Aminopterin54-62-656 % similar N-(4-Aminobenzoyl)-L-glutamic acid4271-30-147 % similar

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

Elsewhere

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