ChemSpider 2D Image | (7R,8R,9R)-7-(2-Methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl beta-D-glucopyranosiduronic acid | C27H33N3O9

(7R,8R,9R)-7-(2-Methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC27H33N3O9
  • Average mass543.566 Da
  • Monoisotopic mass543.221680 Da
  • ChemSpider ID9824352

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(7R,8R,9R)-7-(2-Methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(7R,8R,9R)-7-(2-Methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (7R,8R,9R)-7-(2-méthoxyéthoxy)-2,3-diméthyl-9-phényl-7,8,9,10-tétrahydroimidazo[1,2-h][1,7]naphtyridin-8-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (7R,8R,9R)-7,8,9,10-tetrahydro-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenylimidazo[1,2-h][1,7]naphthyridin-8-yl [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 353.9±7.0 cm3

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