Dihydrofolic acid

C₁₉H₂₁N₇O₆CAS 4033-27-6443.42 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Imine Phenol Secondary amine

Properties

Molecular formula: C₁₉H₂₁N₇O₆
Molar mass: 443.42 g/mol
Exact mass: 443.1553 Da
logP: 0.25Crippen estimate
Polar surface area: 212.9 Å²
H-bond donors / acceptors: 8 / 9
Rotatable bonds: 9
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

4033-27-6

SMILES

N=c1nc(O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)=N2

InChIKey

OZRNSSUDZOLUSN-LBPRGKRZSA-N

InChI

InChI=1S/C19H21N7O6/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/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1

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

Names and synonyms

7 names

L-Glutamic acid, N-[4-[[(2-amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
Glutamic acid, N-[p-[[(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-, L-
L-Glutamic acid, N-[4-[[(2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
N-[4-[[(2-Amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid
7,8-Dihydrofolic acid
7,8-Dihydro-L-folic acid
NSC 165989

Work with Dihydrofolic 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

Tetrahydrofolic acid135-16-068 % similar Folic acid59-30-366 % similar 5-Methyltetrahydrofolic acid134-35-065 % similar Levomefolic acid31690-09-265 % similar Leucovorin58-05-963 % 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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