(1S,2S,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-2-(benzyloxymethyl)-6-(4-chloro-2-(4-ethylbenzyl)phenoxy)cyclohexanol
Basic information
- Standard SMILES
CCc1ccc(Cc2cc(Cl)ccc2O[C@@H]2[C@@H](O)[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1- InChIKey
RVAMIISPSHJBAT-BBGYTXSZSA-N- Molecular formula
- C50H51ClO6
- Average molar mass
- 783.4 g/mol
- Monoisotopic mass
- 782.337417
Names & identifiers
- Preferred name
- (1S,2S,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-2-(benzyloxymethyl)-6-(4-chloro-2-(4-ethylbenzyl)phenoxy)cyclohexanol
- IUPAC
- (1S,2R,3R,4S,5R,6S)-2-[4-chloro-2-[(4-ethylphenyl)methyl]phenoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol
Names & synonyms
SCHEMBL48211RVAMIISPSHJBAT-BBGYTXSZSA-N(1S,2S,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-2-(benzyloxymethyl)-6-(4-chloro-2-(4-ethylbenzyl)phenoxy)cyclohexanol
Database identifiers
- PubChem CID
- 57741118
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
2 records
Compound notes
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