ChemSpider 2D Image | MFCD03939784 | C8H16N2O7

MFCD03939784

  • Molecular FormulaC8H16N2O7
  • Average mass252.222 Da
  • Monoisotopic mass252.095749 Da
  • ChemSpider ID71081153

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-Acetamido-1,2-dideoxy-1-nitro-D-threo-hexitol [ACD/IUPAC Name]
2-Acetamido-1,2-didesoxy-1-nitro-D-threo-hexitol [German] [ACD/IUPAC Name]
2-Acétamido-1,2-didésoxy-1-nitro-D-thréo-hexitol [French] [ACD/IUPAC Name]
D-threo-Hexitol, 2-(acetylamino)-1,2-dideoxy-1-nitro- [ACD/Index Name]
MFCD03939784
2-Acetamido-1,2-dideoxy-1-nitro-D-mannitol [ACD/IUPAC 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: 675.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 156 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 170.8±3.0 cm3

Click to predict properties on the Chemicalize site


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