Methyl-beta-D-glucopyranoside hemihydrate

Catalog	BBC7000273
CAS	7000-27-3
Structure
Synonyms	beta-D-Glucopyranoside, methyl, hydrate (2:1)
IUPAC Name	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;hydrate
Molecular Weight	212.2
Molecular Formula	C7H16O7
Canonical SMILES	CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.O
InChI	InChI=1S/C7H14O6.H2O/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;/h3-11H,2H2,1H3;1H2/t3-,4-,5+,6-,7-;/m1./s1
InChI Key	QFDRIBVAVJNJDT-DEOAAGHXSA-N
Melting Point	107-111 °C
Purity	98%
Appearance	White powder