2,3,4,5,6-pentahydroxy-N-(1-phenylpropan-2-yl)hexanamide
Basic information
- CAS
6968-04-3- Standard SMILES
CC(Cc1ccccc1)NC(=O)C(O)C(O)C(O)C(O)CO- InChIKey
PFXDJBDZVIIINF-UHFFFAOYSA-N- Molecular formula
- C15H23NO6
- Average molar mass
- 313.35 g/mol
- Monoisotopic mass
- 313.15253745
Names & identifiers
- Preferred name
- 2,3,4,5,6-pentahydroxy-N-(1-phenylpropan-2-yl)hexanamide
- IUPAC
- 2,3,4,5,6-pentahydroxy-N-(1-phenylpropan-2-yl)hexanamide
Names & synonyms
6968-04-3NSC206302,3,4,5,6-pentahydroxy-N-(1-phenylpropan-2-yl)hexanamideDTXSID90281169NSC-20630
Database identifiers
- CAS
6968-04-3- PubChem CID
- 228047
- DTXSID
DTXSID90281169
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…