ChemSpider 2D Image | 1-Deoxy-1-[methyl(octanoyl)amino]-D-allitol | C15H31NO6

1-Deoxy-1-[methyl(octanoyl)amino]-D-allitol

  • Molecular FormulaC15H31NO6
  • Average mass321.410 Da
  • Monoisotopic mass321.215149 Da
  • ChemSpider ID26354088

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Deoxy-1-[methyl(octanoyl)amino]-D-allitol [ACD/IUPAC Name]
1-Desoxy-1-[methyl(octanoyl)amino]-D-allitol [German] [ACD/IUPAC Name]
1-Désoxy-1-[méthyl(octanoyl)amino]-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 1-deoxy-1-[methyl(1-oxooctyl)amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 305.6±30.1 °C
Index of Refraction: 1.526
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.83
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.83
Polar Surface Area: 121 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 269.5±3.0 cm3

Click to predict properties on the Chemicalize site


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