Folic acid

C19H19N7O6CAS 59-30-3441.40 g/mol

Open in Covalent MOL file
HNNOHNHNOHNOOHOHONHN
AmideCarboxylic acidPhenolSecondary amine

Properties

Molecular formula
C19H19N7O6
Molar mass
441.40 g/mol
Exact mass
441.1397 Da
Melting point
250 °C (decomposes)
logP
0.20Crippen estimate
Polar surface area
214.3 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
59-30-3
SMILES
N=c1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1
InChIKey
OVBPIULPVIDEAO-LBPRGKRZSA-N
InChI
InChI=1S/C19H19N7O6/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/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

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Names and synonyms

38 names · show all
  • Folipac
  • L-Glutamic acid, N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
  • L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-
  • N-[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid
  • Pteroylglutamic acid
  • Vitamin bc
  • Vitamin M
  • Pteroylmonoglutamic acid
  • Pteroyl-L-glutamic acid
  • Folacin
  • Pteroyl-L-monoglutamic acid
  • PGA
  • Liver Lactobacillus casei factor
  • Cytofol
  • Foliamin
  • Folsaure
  • Folsan
  • Folvite
  • Incafolic
  • Millafol
  • Folettes
  • Acifolic
  • Folsav
  • Folacid
  • Vitamin be
  • Folbal
  • Folcidin
  • Dosfolat B activ
  • NSC 3073
  • Folicet
  • Foldine
  • Aspol
  • Folovit
  • Folnak
  • Vitamin B9
  • Dosfolat XS
  • (2S)-2-[(4-[[(2-Amino-4-hydroxypteridin-6-yl)methyl]amino]phenyl)formamido]pentanedioic acid
  • (2S)-2-[[4-[(2-Amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Work with Folic 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

Aminopterin54-62-675 % similar Tetrahydrofolic acid135-16-066 % similar Dihydrofolic acid4033-27-666 % similar Pteroic acid119-24-464 % similar 5-Methyltetrahydrofolic acid134-35-061 % similar Levomefolic acid31690-09-261 % similar Leucovorin58-05-960 % similar Pemetrexed137281-23-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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