Folic acid (Folate), Synthetic vitamin B9

Key facts

CAS number

59-30-3

Purity

>96%

Molecular weight

441.4 Da

Molecular formula

C₁₉H₁₉N₇O₆

PubChem

6037

Nature

Synthetic

Solubility

Soluble in 1 N NaOH to 100 mM

Biochemical name

CID 6037

Biological description

Synthetic vitamin B9. Tetrahydrofolate precursor. Promotes DNA synthesis and cell division. Shows anti-inflammatory and chemopreventive effects *in vivo.* Orally active.

Canonical smiles

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric smiles

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)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

InChiKey

OVBPIULPVIDEAO-LBPRGKRZSA-N

IUPAC Name

(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid