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

HCID 71500259

Basic information

Standard SMILES
CC(=O)OC[C@H]1O[C@@H](n2cc(C=O)c3c(F)cccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
QIKHCMDHYRFVRL-DODNOZFWSA-N
Molecular formula
C23H24FNO10
Average molar mass
493.4 g/mol

Names & identifiers

Preferred name
4-fluoro-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)indole-3-carboxaldehyde
IUPAC
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(4-fluoro-3-formylindol-1-yl)oxan-2-yl]methyl acetate

Names & synonyms

SCHEMBL1405579QIKHCMDHYRFVRL-DODNOZFWSA-N4-fluoro-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)indole-3-carboxaldehyde(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-fluoro-3-formyl-1H-indol-1-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Database identifiers

PubChem CID
71500259

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
136 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
11
Heavy atoms
35

Related reactions

4 records

Compound notes

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4-fluoro-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)indole-3-carboxaldehyde (HCID 71500259)|Huagongshe