4-(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyloxy)-3-[(E)-2-(4-bromophenyl)vinyl]benzofuran

HCID 67136339
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)OC[C@H]1O[C@@H](Oc2cccc3occ(/C=C/c4ccc(Br)cc4)c23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
VLRQNLICOFPBHS-IBAHZZTOSA-N
Molecular formula
C30H29BrO11
Average molar mass
645.4 g/mol
Monoisotopic mass
644.08932

Names & identifiers

Preferred name
4-(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyloxy)-3-[(E)-2-(4-bromophenyl)vinyl]benzofuran
IUPAC
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[3-[(E)-2-(4-bromophenyl)ethenyl]-1-benzofuran-4-yl]oxy]oxan-2-yl]methyl acetate

Names & synonyms

SCHEMBL1728245VLRQNLICOFPBHS-IBAHZZTOSA-N4-(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyloxy)-3-[(E)-2-(4-bromophenyl)vinyl]benzofuran

Database identifiers

PubChem CID
67136339

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
137 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
13
Heavy atoms
42

Related reactions

2 records
New reaction record

Compound notes

Loading…