Basic information
- CAS
6967-94-8- Standard SMILES
O=C(Nc1ccc(O)cc1)C(O)C(O)C(O)C(O)CO- InChIKey
WRMWHTLOPXWIMR-UHFFFAOYSA-N- Molecular formula
- C12H17NO7
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.10050188
Names & identifiers
- Preferred name
- 2,3,4,5,6-pentahydroxy-N-(4-hydroxyphenyl)hexanamide
- IUPAC
- 2,3,4,5,6-pentahydroxy-N-(4-hydroxyphenyl)hexanamide
Names & synonyms
6967-94-8NSC206132,3,4,5,6-pentahydroxy-N-(4-hydroxyphenyl)hexanamideDTXSID10281166NSC-20613NSC254189NSC-254189
Database identifiers
- CAS
6967-94-8- PubChem CID
- 228034
- DTXSID
DTXSID10281166
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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