1-(beta-D-glucopyranosyl)-4-chloro-3-(1,3-dihydro-isoindol-2-ylmethyl)benzene

HCID 58242562
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Basic information

Standard SMILES
OC[C@H]1O[C@@H](c2ccc(Cl)c(CN3Cc4ccccc4C3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
JCNRJIUHNQOFNK-ADAARDCZSA-N
Molecular formula
C21H24ClNO5
Average molar mass
405.9 g/mol
Monoisotopic mass
405.1343006

Names & identifiers

Preferred name
1-(beta-D-glucopyranosyl)-4-chloro-3-(1,3-dihydro-isoindol-2-ylmethyl)benzene
IUPAC
(2S,3R,4R,5S,6R)-2-[4-chloro-3-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Names & synonyms

SCHEMBL146660JCNRJIUHNQOFNK-ADAARDCZSA-N1-(beta-D-glucopyranosyl)-4-chloro-3-(1,3-dihydro-isoindol-2-ylmethyl)benzene

Database identifiers

PubChem CID
58242562

Properties

Computed structural properties

XLogP
1
Topological polar surface area
93.4 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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