Basic information
- Standard SMILES
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Br- InChIKey
MWYPHOWMKHNMBH-LMLFDSFASA-N- Molecular formula
- C11H15BrO6S
- Average molar mass
- 355.2 g/mol
- Monoisotopic mass
- 353.97727
Names & identifiers
- Preferred name
- (2S,3R,4S,5S)-2-bromotetrahydro-2H-thiopyran-3,4,5-triyl triacetate
- IUPAC
- [(3S,4S,5R,6S)-4,5-diacetyloxy-6-bromothian-3-yl] acetate
Names & synonyms
(2S,3R,4S,5S)-2-bromotetrahydro-2H-thiopyran-3,4,5-triyl triacetate130855-73-1(3S,4S,5R,6S)-4,5-bis(acetyloxy)-6-bromothian-3-yl acetateSCHEMBL316711MWYPHOWMKHNMBH-LMLFDSFASA-N2,3,4-tri-O-acetyl-5-thio-beta-D-xylopyranosyl bromide
Database identifiers
- PubChem CID
- 10948230
- Nikkaji
- J1.955.751K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Related reactions
3 records
Linked notes
Loading…