CAS 2936-70-1 | β-D-Glucopyranoside, phenyl 1-thio- | CAS Number 2936-70-1

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2936-70-1 | β-D-Glucopyranoside, phenyl 1-thio-

CAS No: 2936-70-1 Catalog No: AG002Y54 MDL No:MFCD00064097

Product Description

Catalog Number:

AG002Y54

Chemical Name:

β-D-Glucopyranoside, phenyl 1-thio-

CAS Number:

2936-70-1

Molecular Formula:

C12H16O5S

Molecular Weight:

272.3174

MDL Number:

MFCD00064097

IUPAC Name:

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol

InChI:

InChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12+/m1/s1

InChI Key:

OVLYAISOYPJBLU-ZIQFBCGOSA-N

SMILES:

OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O

Properties

Complexity:

259

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.315g/mol

Monoisotopic Mass:

272.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Using simple donors to drive the equilibria of glycosyltransferase-catalyzed reactions.	Nature chemical biology 20111001
Engineering of glucoside acceptors for the regioselective synthesis of beta-(1-->3)-disaccharides with glycosynthases.	Carbohydrate research 20081124
Preparation and diastereomeric separation of an (S)- and (R)-1-(methoxycarbonyl)tridec-10-yl glucoside derivative, a precursor for a monosaccharide constituent of resin glycosides.	Carbohydrate research 20020605