ChemSpider 2D Image | 1-[{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}(methyl)amino]-1-deoxyhexitol | C19H26N2O9

1-[{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}(methyl)amino]-1-deoxyhexitol

  • Molecular FormulaC19H26N2O9
  • Average mass426.418 Da
  • Monoisotopic mass426.163818 Da
  • ChemSpider ID34750523

More details:

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

1-[{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}(methyl)amino]-1-deoxyhexitol [ACD/IUPAC Name]
1-[{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}(methyl)amino]-1-desoxyhexitol [German] [ACD/IUPAC Name]
1-[{[1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl}(méthyl)amino]-1-désoxyhexitol [French] [ACD/IUPAC Name]
Hexitol, 1-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]carbonyl]methylamino]-1-deoxy- [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: 866.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 477.7±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.22
Polar Surface Area: 160 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 83.3±3.0 dyne/cm
Molar Volume: 278.2±3.0 cm3

Click to predict properties on the Chemicalize site


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