ChemSpider 2D Image | (1R,2R,8R,8aR)-Octahydro-1,2,8-indolizinetriol | C8H15NO3

(1R,2R,8R,8aR)-Octahydro-1,2,8-indolizinetriol

  • Molecular FormulaC8H15NO3
  • Average mass173.210 Da
  • Monoisotopic mass173.105194 Da
  • ChemSpider ID61421009

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,8R,8aR)-Octahydro-1,2,8-indolizinetriol [ACD/IUPAC Name]
(1R,2R,8R,8aR)-Octahydro-1,2,8-indolizinetriol [French] [ACD/IUPAC Name]
(1R,2R,8R,8aR)-Octahydro-1,2,8-indolizintriol [German] [ACD/IUPAC Name]
1,2,8-Indolizinetriol, octahydro-, (1R,2R,8R,8aR)- [ACD/Index Name]
113299-92-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 353.3±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.3±6.0 kJ/mol
Flash Point: 209.7±20.7 °C
Index of Refraction: 1.609
Molar Refractivity: 43.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.97
Polar Surface Area: 64 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 125.4±5.0 cm3

Click to predict properties on the Chemicalize site


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