Basic information
- Standard SMILES
CCc1ccc(Cc2cc([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc(Br)c2C)cc1- InChIKey
HQQAJUMIVMYBDI-MYOTWTRRSA-N- Molecular formula
- C30H35BrO9
- Average molar mass
- 619.5 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(3-bromo-5-(4-ethylbenzyl)-4-methylphenyl)-tetrahydro-2H-pyran-3,4,5-triyl triacetate
- IUPAC
- [(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[3-bromo-5-[(4-ethylphenyl)methyl]-4-methylphenyl]oxan-2-yl]methyl acetate
Names & synonyms
SCHEMBL1252358HQQAJUMIVMYBDI-MYOTWTRRSA-N(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(3-bromo-5-(4-ethylbenzyl)-4-methylphenyl)-tetrahydro-2H-pyran-3,4,5-triyl triacetate
Database identifiers
- PubChem CID
- 59238239
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 886
Related reactions
2 records
Compound notes
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