4-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 5
Total Number of Articles : 8
PubChem 121923
Molecular Formula

C18H21NO8

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3[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

synonyms
  • 2H-1-Benzopyran-2-one, 7-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-4-methyl-
  • N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]acetamide
  • 4-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
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Properties
Property Value
MW 379.4 g/mol
HBD 4
HBA 8
Rotatable Bond Count 4
Exact Mass 379.12671663 g/mol
Monoisotopic Mass 379.12671663 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 608
xlogp -0.8
Topological Polar Surface Area 135