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Structure

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

CAS
36476-29-6
Catalog Number
ACM36476296
Category
Other Products
Molecular Weight
379.36
Molecular Formula
C18H21NO8

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Specification

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
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
Density
1.47 g/cm³
Appearance
White to faint yellow powder
EC Number
253-052-3
Exact Mass
379.12700
H-Bond Acceptor
8
H-Bond Donor
4
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