Basic information
- Standard SMILES
Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c([N+](=O)[O-])c3)nc2c(=O)[nH]1- InChIKey
ODAPHUIXFWPXEF-NSHDSACASA-N- Molecular formula
- C19H18N8O8
- Average molar mass
- 486.4 g/mol
Names & identifiers
- Preferred name
- 2'-Nitrofolic acid
- IUPAC
- (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]-2-nitrobenzoyl]amino]pentanedioic acid
Names & synonyms
2'-nitrofolic acidSCHEMBL3568051ODAPHUIXFWPXEF-NSHDSACASA-N
Database identifiers
- PubChem CID
- 136353769
- Nikkaji
- J3.023.799D
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 893
Related reactions
1 records
Compound notes
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