ChemSpider 2D Image | 1,4:3,6-Dianhydro-2,5-di-O-nitro-D-glycero-hexitol | C6H8N2O8

1,4:3,6-Dianhydro-2,5-di-O-nitro-D-glycero-hexitol

  • Molecular FormulaC6H8N2O8
  • Average mass236.136 Da
  • Monoisotopic mass236.028061 Da
  • ChemSpider ID28658337

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

1,4:3,6-Dianhydro-2,5-di-O-nitro-D-glycero-hexitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2,5-di-O-nitro-D-glycero-hexitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2,5-di-O-nitro-D-glycéro-hexitol [French] [ACD/IUPAC Name]
D-glycero-Hexitol, 1,4:3,6-dianhydro-, dinitrate [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 365.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 186.6±29.9 °C
Index of Refraction: 1.538
Molar Refractivity: 44.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 5.00
ACD/KOC (pH 5.5): 110.19
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 5.00
ACD/KOC (pH 7.4): 110.19
Polar Surface Area: 129 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 142.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement