Basic information
- Standard SMILES
O=C(O)CCCC(=O)c1ccc(O)c(CCC(=O)O)n1- InChIKey
ROZVTHYRGOIQQS-UHFFFAOYSA-N- Molecular formula
- C13H15NO6
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.0899372
Names & identifiers
- Preferred name
- 5-[2-(2-Carboxyethyl)-3-hydroxy-6-pyridyl]-5-oxopentanoic acid
- IUPAC
- 5-[6-(2-carboxyethyl)-5-hydroxy-2-pyridinyl]-5-oxopentanoic acid
Names & synonyms
SCHEMBL8825427ROZVTHYRGOIQQS-UHFFFAOYSA-N5-[2-(2-carboxyethyl)-3-hydroxy-6-pyridyl]-5-oxopentanoic acid
Database identifiers
- PubChem CID
- 19957451
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Related reactions
1 records
Compound notes
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