1-(beta-D-glucopyranosyl)-4-chloro-3-(5-(6methoxy-2-pyridyl)-2-thienylmethyl)benzene

HCID 66608917

Basic information

Standard SMILES
COc1cccc(-c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)s2)n1
InChIKey
GSTIIBFJJUETQN-PHNZBSFLSA-N
Molecular formula
C23H24ClNO6S
Average molar mass
478 g/mol

Names & identifiers

Preferred name
1-(beta-D-glucopyranosyl)-4-chloro-3-(5-(6methoxy-2-pyridyl)-2-thienylmethyl)benzene
IUPAC
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-methoxy-2-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Names & synonyms

SCHEMBL158025GSTIIBFJJUETQN-PHNZBSFLSA-N1-(beta-D-glucopyranosyl)-4-chloro-3-(5-(6-methoxy-2-pyridyl)-2-thienylmethyl)benzene1-(beta-D-glucopyranosyl)-4-chloro-3-(5-(6methoxy-2-pyridyl)-2-thienylmethyl)benzene

Database identifiers

PubChem CID
66608917

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
141 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
32

Related reactions

4 records

Compound notes

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