Basic information
- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](n2cc(C(=O)c3ccc(Br)cc3)c3c(Cl)cccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
VDSMPGXMVVPOQD-ZKRUMVIUSA-N- Molecular formula
- C29H27BrClNO10
- Average molar mass
- 664.9 g/mol
Names & identifiers
- Preferred name
- 4-bromophenyl 4-chloro-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-indol-3-yl ketone
- IUPAC
- [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-(4-bromobenzoyl)-4-chloroindol-1-yl]oxan-2-yl]methyl acetate
Names & synonyms
SCHEMBL1876796VDSMPGXMVVPOQD-ZKRUMVIUSA-N4-bromophenyl 4-chloro-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-indol-3-yl ketone
Database identifiers
- PubChem CID
- 67196957
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
1 records
Compound notes
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