β-D-Gentiobiose

CAS	554-91-6
Structure
Synonyms	6-O-beta-D-Glucopyranosyl-D-glucose, Amygdalose
IUPAC Name	(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2R,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)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O
InChI	InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9+,10-,11+,12+/m0/s1
InChI Key	AYRXSINWFIIFAE-UDKQPYHCSA-N
Boiling Point	397.76 °C
Melting Point	195-197 °C (dec.)
Purity	98%
Density	1.415 g/ml
Refractive Index	9.5 ° (C=4, H2O)
pKa	12.45±0.20
Solubility in Water	Sligthly
Appearance	White to off-white solid