ChemSpider 2D Image | 6-Deoxy-6-(methylamino)-D-allitol | C7H17NO5

6-Deoxy-6-(methylamino)-D-allitol

  • Molecular FormulaC7H17NO5
  • Average mass195.214 Da
  • Monoisotopic mass195.110672 Da
  • ChemSpider ID75162610

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-Deoxy-6-(methylamino)-D-allitol [ACD/IUPAC Name]
6-Desoxy-6-(methylamino)-D-allitol [German] [ACD/IUPAC Name]
6-Désoxy-6-(méthylamino)-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 6-deoxy-6-(methylamino)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 490.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 251.6±19.3 °C
Index of Refraction: 1.555
Molar Refractivity: 45.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -3.37
ACD/LogD (pH 5.5): -5.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 141.9±3.0 cm3

Click to predict properties on the Chemicalize site


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