Folate
(2R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Identity
Folate
(2R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
PubChem CID: 135405876
2D Structure
Properties
C19H19N7O6
Molecular Formula
441.40
Molecular Weight
g/mol
441.1397
Exact Mass
Da
-1.1
XLogP
Drug-like (Lipinski: < 5)
209
TPSA
May have limited oral absorption
6
H-Bond Donors
10
H-Bond Acceptors
767
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NIsomeric SMILES
SMILES: C1=CC(=CC=C1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NSynonyms(20)
Vitamin B-11RefChem:921747CHEBI:37445(2R)-2-((4-(((4-hydroxy-2-imino-1H-pteridin-6-yl)methyl)amino)phenyl)formamido)pentanedioic acidFolateD-Folic Acid65165-91-5CHEMBL4472009(2R)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid(3aR,4R,5R,6aS)-5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-4-[(1E,3S)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzoyl)-d-glutamic acid(R)-2-(4-(((2-amino-4-hydroxypteridin-6-yl)methyl)amino)benzamido)pentanedioic acidfolieacidD-FolicAcidD-Folic-Acid
Data from PubChem (NCBI)
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