Basic information
- Standard SMILES
O=C(O)Cc1ccc(CNCC(O)C(O)C(O)C(O)CO)cc1- InChIKey
QFSXTTPKLXFRRU-UHFFFAOYSA-N- Molecular formula
- C15H23NO7
- Average molar mass
- 329.35 g/mol
Names & identifiers
- Preferred name
- {4-[(2,3,4,5,6-Pentahydroxyhexylamino)-methyl]-phenyl}acetic acid
- IUPAC
- 2-[4-[(2,3,4,5,6-pentahydroxyhexylamino)methyl]phenyl]acetic acid
Names & synonyms
SCHEMBL2904073QFSXTTPKLXFRRU-UHFFFAOYSA-N{4-[(2,3,4,5,6-pentahydroxyhexylamino)-methyl]-phenyl}acetic acid{4-[(2,3,4,5,6-pentahydroxyhexylamino)-methyl]-phenyl}-acetic acid
Database identifiers
- PubChem CID
- 21083182
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 347
Related reactions
5 records
Compound notes
Loading…