alpha-D-Glucopyranoside, 2-(chloromethyl)phenyl

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Basic information

CAS: 143836-15-1
Standard SMILES: OC[C@H]1O[C@H](Oc2ccccc2CCl)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey: BWIHMLIDOLJQJX-LBELIVKGSA-N
Molecular formula: C13H17ClO6
Average molar mass: 304.72 g/mol
Monoisotopic mass: 304.071366

Names & identifiers

Preferred name: alpha-D-Glucopyranoside, 2-(chloromethyl)phenyl
IUPAC: (2R,3R,4S,5S,6R)-2-[2-(chloromethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Names & synonyms

Cl-Me-Ph-Pyranalpha-D-Glucopyranoside, 2-(chloromethyl)phenylO1-(2-(Chloromethyl)phenyl)-glucopyranoside143836-15-12-(Chloromethyl)phenyl alpha-D-glucopyranosideDTXSID90162560.alpha.-D-Glucopyranoside, 2-(chloromethyl)phenyl(2R,3R,4S,5S,6R)-2-[2-(chloromethyl)phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Database identifiers

CAS: 143836-15-1
PubChem CID: 453191
DTXSID: DTXSID90162560
Nikkaji: J622.180G

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 99.4 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 305

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Compound notes

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