ChemSpider 2D Image | 1,4:3,6-Dianhydro-5-O-nitro-D-sorbose | C6H7NO6

1,4:3,6-Dianhydro-5-O-nitro-D-sorbose

  • Molecular FormulaC6H7NO6
  • Average mass189.123 Da
  • Monoisotopic mass189.027344 Da
  • ChemSpider ID23621650

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,4:3,6-Dianhydro-5-O-nitro-D-sorbose [ACD/IUPAC Name]
1,4:3,6-Dianhydro-5-O-nitro-D-sorbose [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-5-O-nitro-D-sorbose [French] [ACD/IUPAC Name]
D-Sorbose, 1,4:3,6-dianhydro-, 5-nitrate [ACD/Index Name]
5-NITRO-1,4:3,6-DIANHYDROSORBITOL

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

Density: 1.6±0.1 g/cm3
Boiling Point: 349.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 190.7±29.9 °C
Index of Refraction: 1.525
Molar Refractivity: 37.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.14
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.14
Polar Surface Area: 91 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 120.9±5.0 cm3

Click to predict properties on the Chemicalize site


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