Basic information
- Standard SMILES
OC1(c2cc(Cc3cc4cc(F)ccc4s3)cc3ccccc23)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1- InChIKey
JCOMKJRHNXTGDC-AQFDFJFXSA-N- Molecular formula
- C53H47FO6S
- Average molar mass
- 831 g/mol
- Monoisotopic mass
- 830.30773855
Names & identifiers
- Preferred name
- (3R,4S,5S,6R)-3,4,5-Trisbenzyloxy-6-benzyloxymethyl-2-[3-(5-fluorobenzo[b]thiophen-2-ylmethyl)naphthalen-1-yl]tetrahydropyran-2-ol
- IUPAC
- (3R,4S,5S,6R)-2-[3-[(5-fluoro-1-benzothiophen-2-yl)methyl]naphthalen-1-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
Names & synonyms
SCHEMBL1776117JCOMKJRHNXTGDC-AQFDFJFXSA-N(3R,4S,5S,6R)-3,4,5-Trisbenzyloxy-6-benzyloxymethyl-2-[3-(5-fluorobenzo[b]thiophen-2-ylmethyl)naphthalen-1-yl]tetrahydropyran-2-ol
Database identifiers
- PubChem CID
- 67157437
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,280
Related reactions
1 records
Compound notes
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