ChemSpider 2D Image | B-D-XYLOPYRANOSYL NITROMETHANE | C6H11NO6

B-D-XYLOPYRANOSYL NITROMETHANE

  • Molecular FormulaC6H11NO6
  • Average mass193.155 Da
  • Monoisotopic mass193.058640 Da
  • ChemSpider ID27474314

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,5-Anhydro-6-deoxy-6-nitro-L-glucitol [ACD/IUPAC Name]
1,5-Anhydro-6-desoxy-6-nitro-L-glucitol [German] [ACD/IUPAC Name]
1,5-Anhydro-6-désoxy-6-nitro-L-glucitol [French] [ACD/IUPAC Name]
20204-84-6 [RN]
B-D-XYLOPYRANOSYL NITROMETHANE
L-Glucitol, 1,5-anhydro-6-deoxy-6-nitro- [ACD/Index Name]
?-D-Xylopyranosyl nitromethane,
2,6-Anhydro-1-deo
2,6-ANHYDRO-1-DEOXY-1-NITRO-3,4,5-TRI-O-ACETYL-D-GULITOL

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

Density: 1.6±0.1 g/cm3
Boiling Point: 428.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±6.0 kJ/mol
Flash Point: 213.0±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 40.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.33
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.08
Polar Surface Area: 116 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 122.3±3.0 cm3

Click to predict properties on the Chemicalize site


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