Basic information
- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](n2ccc3c(Br)cccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
SKIAVWHXYVHGQC-QMCAAQAGSA-N- Molecular formula
- C22H24BrNO9
- Average molar mass
- 526.3 g/mol
- Monoisotopic mass
- 525.06344
Names & identifiers
- Preferred name
- 4-bromo-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)indole
- IUPAC
- [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(4-bromoindol-1-yl)oxan-2-yl]methyl acetate
Names & synonyms
SCHEMBL1879077SKIAVWHXYVHGQC-QMCAAQAGSA-N4-bromo-1-(2,3,4,6-tetra-O-acetyl-beta-D-gluco-pyranosyl)indole4-bromo-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)indole
Database identifiers
- PubChem CID
- 67197865
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 762
Related reactions
5 records
Compound notes
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