ChemSpider 2D Image | 1,4:3,6-Dianhydro-5-O-nitro-L-glucitol | C6H9NO6

1,4:3,6-Dianhydro-5-O-nitro-L-glucitol

  • Molecular FormulaC6H9NO6
  • Average mass191.139 Da
  • Monoisotopic mass191.042984 Da
  • ChemSpider ID23936438

  • 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-5-O-nitro-L-glucitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-5-O-nitro-L-glucitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-5-O-nitro-L-glucitol [French] [ACD/IUPAC Name]
L-Glucitol, 1,4:3,6-dianhydro-, 5-nitrate [ACD/Index Name]
16106-20-0 [RN]
Isosorbide 2-Nitrate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 364.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.7±6.0 kJ/mol
Flash Point: 174.2±27.9 °C
Index of Refraction: 1.543
Molar Refractivity: 38.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.47
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.47
Polar Surface Area: 94 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 122.0±5.0 cm3

Click to predict properties on the Chemicalize site


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