ChemSpider 2D Image | 3,6-Diamino-3,6-dideoxy-beta-D-idopyranose | C6H14N2O4

3,6-Diamino-3,6-dideoxy-β-D-idopyranose

  • Molecular FormulaC6H14N2O4
  • Average mass178.186 Da
  • Monoisotopic mass178.095352 Da
  • ChemSpider ID61638155
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

3,6-Diamino-3,6-dideoxy-β-D-idopyranose [ACD/IUPAC Name]
3,6-Diamino-3,6-didesoxy-β-D-idopyranose [German] [ACD/IUPAC Name]
3,6-Diamino-3,6-didésoxy-β-D-idopyranose [French] [ACD/IUPAC Name]
β-D-Idopyranose, 3,6-diamino-3,6-dideoxy- [ACD/Index Name]
3926-93-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 410.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±6.0 kJ/mol
Flash Point: 201.9±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 41.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -6.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 120.8±3.0 cm3

Click to predict properties on the Chemicalize site






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