4-Methylumbelliferyl-N-acetyl-beta-D-galactosaminide hydrate

CAS	36476-29-6
Structure
Synonyms	7-[2-(Acetylamino)-2-deoxy-β-D-galacto-hexopyranosyloxy]-4-methyl-2H-1-benzopyran-2-one
IUPAC Name	N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]acetamide
Molecular Weight	379.36
Molecular Formula	C18H21NO8
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)NC(=O)C
InChI	InChI=1S/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)/t13-,15-,16+,17-,18-/m1/s1
InChI Key	QCTHLCFVVACBSA-SOVHRIKKSA-N
Boiling Point	732.2ºC at 760 mmHg
Melting Point	190-192 °C
Flash Point	396.6ºC
Purity	98%
Density	1.47 g/cm³
Appearance	White to faint yellow powder