4-bromo-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)indole

HCID 67197865

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

Related reactions

5 records

Compound notes

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