Leucovorin
(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Identity
Leucovorin
(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
PubChem CID: 135403648
5-formyltetrahydrofolic acid is a formyltetrahydrofolic acid in which the formyl group is located at position 5. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a 5-formyltetrahydrofolate(2-).
2D Structure
Properties
C20H23N7O7
Molecular Formula
473.40
Molecular Weight
g/mol
473.1659
Exact Mass
Da
-1.2
XLogP
Drug-like (Lipinski: < 5)
216
TPSA
May have limited oral absorption
7
H-Bond Donors
10
H-Bond Acceptors
911
Complexity
SMILES
Canonical SMILES
SMILES: C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)OIsomeric SMILES
SMILES: C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)OSynonyms(20)
folinic acidleucovorin58-05-95-Formyltetrahydrofolic acidfolinateFolinic acid-SF5-formyltetrahydrofolateAcide folinique5-Formyl-5,6,7,8-tetrahydrofolic acidN5-Formyltetrahydrofolic acid(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidN5-Formyl-5,6,7,8-tetrahydrofolic acidQ573I9DVLP5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acidDTXSID0048216
Data from PubChem (NCBI)
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