ChemSpider 2D Image | (1R,2r,3S,4S,6R)-4,6-Diamino-1,2,3-cyclohexanetriol | C6H14N2O3

(1R,2r,3S,4S,6R)-4,6-Diamino-1,2,3-cyclohexanetriol

  • Molecular FormulaC6H14N2O3
  • Average mass162.187 Da
  • Monoisotopic mass162.100449 Da
  • ChemSpider ID75110328

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2r,3S,4S,6R)-4,6-Diamino-1,2,3-cyclohexanetriol [ACD/IUPAC Name]
(1R,2r,3S,4S,6R)-4,6-Diamino-1,2,3-cyclohexanetriol [French] [ACD/IUPAC Name]
(1R,2r,3S,4S,6R)-4,6-Diamino-1,2,3-cyclohexantriol [German] [ACD/IUPAC Name]
1,2,3-Cyclohexanetriol, 4,6-diamino-, (1α,2β,3α,4α,6α)- [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: 310.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.9±6.0 kJ/mol
Flash Point: 141.3±27.9 °C
Index of Refraction: 1.620
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -6.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 112.6±3.0 cm3

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