ChemSpider 2D Image | 1-(Carbamoyloxy)-3-(2-methoxyphenoxy)-2-propanyl beta-D-glucopyranosiduronic acid | C17H23NO11

1-(Carbamoyloxy)-3-(2-methoxyphenoxy)-2-propanyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC17H23NO11
  • Average mass417.365 Da
  • Monoisotopic mass417.127106 Da
  • ChemSpider ID62989041

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-(Carbamoyloxy)-3-(2-methoxyphenoxy)-2-propanyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
1-(Carbamoyloxy)-3-(2-methoxyphenoxy)-2-propanyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 1-(carbamoyloxy)-3-(2-méthoxyphénoxy)-2-propanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 2-[(aminocarbonyl)oxy]-1-[(2-methoxyphenoxy)methyl]ethyl [ACD/Index Name]
56305-74-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 753.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.2±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -4.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 272.3±5.0 cm3

Click to predict properties on the Chemicalize site


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