[4-Benzoyloxy-2-(bromomethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate
Basic information
- CAS
34340-08-4- Standard SMILES
COC1OC(CBr)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OS(=O)(=O)c1ccc(C)cc1- InChIKey
DNQPXVABUKFCMR-UHFFFAOYSA-N- Molecular formula
- C28H27BrO9S
- Average molar mass
- 619.5 g/mol
- Monoisotopic mass
- 618.05592
Names & identifiers
- Preferred name
- [4-Benzoyloxy-2-(bromomethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate
- IUPAC
- [4-benzoyloxy-2-(bromomethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate
Names & synonyms
34340-08-4NSC179637DTXSID10306747NSC-179637Methyl 3,4-di-O-benzoyl-6-bromo-6-deoxy-2-O-(4-methylbenzene-1-sulfonyl)hexopyranoside
Database identifiers
- CAS
34340-08-4- PubChem CID
- 301618
- DTXSID
DTXSID10306747
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 902
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Compound notes
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