ChemSpider 2D Image | 2-Deoxy-2-[(3-~2~H_1_)propanoylamino]-D-mannopyranose | C9H16DNO6

2-Deoxy-2-[(3-2H1)propanoylamino]-D-mannopyranose

  • Molecular FormulaC9H16DNO6
  • Average mass236.240 Da
  • Monoisotopic mass236.111862 Da
  • ChemSpider ID67171294

  • defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-Deoxy-2-[(3-2H1)propanoylamino]-D-mannopyranose [ACD/IUPAC Name]
2-Desoxy-2-[(3-2H1)propanoylamino]-D-mannopyranose [German] [ACD/IUPAC Name]
2-Désoxy-2-[(3-2H1)propanoylamino]-D-mannopyranose [French] [ACD/IUPAC Name]
D-Mannopyranose, 2-deoxy-2-[(1-oxopropyl-3-d)amino]- [ACD/Index Name]
N-Propanoyl-D-mannosamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 585.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.4±6.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 53.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.29
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.29
Polar Surface Area: 119 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 163.2±5.0 cm3

Click to predict properties on the Chemicalize site


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