Basic information
- Standard SMILES
OCC1OC(O)(c2ccc(Cl)c(Cc3ccc(O)cc3)c2)C(O)C(O)C1O- InChIKey
VNRJQPLZDZUSFA-UHFFFAOYSA-N- Molecular formula
- C19H21ClO7
- Average molar mass
- 396.8 g/mol
Names & identifiers
- Preferred name
- 2-[4-Chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
- IUPAC
- 2-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Database identifiers
- PubChem CID
- 73201474
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 487
Related reactions
4 records
Compound notes
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