4-(beta-D-Glucopyranosyloxy)-3-Methoxybenzaldehyde

CAS	494-08-6
Structure
Synonyms	Vanillin 4-O-β-D-Glucoside
IUPAC Name	3-Methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
Molecular Weight	314.29
Molecular Formula	C14H18O8
Canonical SMILES	COC1=C(C=CC(=C1)C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChI Key	LPRNQMUKVDHCFX-RKQHYHRCSA-N
Boiling Point	574.7±50.0 °C
Melting Point	189-190 °C
Purity	98%
Density	1.481±0.06 g/ml
pKa	12.78±0.70
Solubility in Water	Sligthly
Appearance	White powder