Basic information
- Standard SMILES
CO[C@@]1(c2ccc(F)c(Cc3cc4ccccc4s3)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
OMIKBHRRNAGWSG-TWZZTNFBSA-N- Molecular formula
- C30H31FO10S
- Average molar mass
- 602.6 g/mol
- Monoisotopic mass
- 602.16219652
Names & identifiers
- Preferred name
- (2S,3R,4S,5R,6R)-6-(Acetoxymethyl)-2-(3-(benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate
- IUPAC
- [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methoxyoxan-2-yl]methyl acetate
Names & synonyms
(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)-2-(3-(benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate1034305-27-5SCHEMBL3303686OMIKBHRRNAGWSG-TWZZTNFBSA-Nmethyl 2,3,4,6-tetra-o-acetyl-1-c-[3-(1-benzothien-2-ylmethyl)-4-fluorophenyl]-alpha-glucopyranoside
Database identifiers
- PubChem CID
- 68588258
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 995
Related reactions
1 records
Compound notes
Loading…