ChemSpider 2D Image | 3-Amino-3,6-dideoxy-beta-D-threo-hexopyranose | C6H13NO4

3-Amino-3,6-dideoxy-β-D-threo-hexopyranose

  • Molecular FormulaC6H13NO4
  • Average mass163.172 Da
  • Monoisotopic mass163.084457 Da
  • ChemSpider ID110463933

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

3-Amino-3,6-dideoxy-β-D-threo-hexopyranose [ACD/IUPAC Name]
3-Amino-3,6-didesoxy-β-D-threo-hexopyranose [German] [ACD/IUPAC Name]
3-Amino-3,6-didésoxy-β-D-thréo-hexopyranose [French] [ACD/IUPAC Name]
β-D-threo-Hexopyranose, 3-amino-3,6-dideoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 349.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.7±6.0 kJ/mol
Flash Point: 165.0±27.9 °C
Index of Refraction: 1.563
Molar Refractivity: 37.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -4.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 116.0±3.0 cm3

Click to predict properties on the Chemicalize site


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