2-O-beta-D-Glucopyranosyl-D-glucose

CAS	534-46-3
Structure
Synonyms	α-Sophorose monohydrate
IUPAC Name	(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Molecular Weight	342.3
Molecular Formula	C12H22O11
Canonical SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O
InChI	InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12-/m1/s1
InChI Key	PZDOWFGHCNHPQD-VNNZMYODSA-N
Boiling Point	783.7±60.0 °C
Melting Point	197 °C
Purity	98%
Density	1.68±0.1 g/ml
pKa	12.79±0.70
Appearance	Solid