ChemSpider 2D Image | 1,4:3,6-Dianhydro-2-O-(butylcarbamoyl)-5-O-nitro-D-glucitol | C11H18N2O7

1,4:3,6-Dianhydro-2-O-(butylcarbamoyl)-5-O-nitro-D-glucitol

  • Molecular FormulaC11H18N2O7
  • Average mass290.270 Da
  • Monoisotopic mass290.111389 Da
  • ChemSpider ID23343286

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,4:3,6-Dianhydro-2-O-(butylcarbamoyl)-5-O-nitro-D-glucitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-O-(butylcarbamoyl)-5-O-nitro-D-glucitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-O-(butylcarbamoyl)-5-O-nitro-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,4:3,6-dianhydro-, 2-(butylcarbamate) 5-nitrate [ACD/Index Name]
1072105-96-4 [RN]
CHEMBL494520
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494520/
Isosorbide-2-(butylcarbamate)-5-mononitrate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 435.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.2±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 65.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.07
ACD/KOC (pH 5.5): 168.69
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.07
ACD/KOC (pH 7.4): 168.69
Polar Surface Area: 112 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 217.1±5.0 cm3

Click to predict properties on the Chemicalize site


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