4-Methylumbelliferyl-beta-D-glucopyranoside

CAS	18997-57-4
Structure
Synonyms	7-(β-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
IUPAC Name	4-Methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular Weight	338.31
Molecular Formula	C16H18O8
Canonical SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
InChI Key	YUDPTGPSBJVHCN-YMILTQATSA-N
Melting Point	258-263 °C (dec.)
Purity	98%
Density	1.522 g/ml
pKa	12.73±0.70
Solubility in Water	Soluble
Appearance	White to off-white solid