ChemSpider 2D Image | Amino-Castanospermine | C8H16N2O3

Amino-Castanospermine

  • Molecular FormulaC8H16N2O3
  • Average mass188.224 Da
  • Monoisotopic mass188.116089 Da
  • ChemSpider ID18677123

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,6S,7R,8R,8aR)-6-Aminooctahydro-1,7,8-indolizinetriol [ACD/IUPAC Name]
(1S,6S,7R,8R,8aR)-6-Aminooctahydro-1,7,8-indolizinetriol [French] [ACD/IUPAC Name]
(1S,6S,7R,8R,8aR)-6-Aminooctahydro-1,7,8-indolizintriol [German] [ACD/IUPAC Name]
1,7,8-Indolizinetriol, 6-aminooctahydro-, (1S,6S,7R,8R,8aR)- [ACD/Index Name]
Amino-Castanospermine
156205-52-6 [RN]
X05

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

Density: 1.5±0.1 g/cm3
Boiling Point: 391.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.1±6.0 kJ/mol
Flash Point: 190.5±27.9 °C
Index of Refraction: 1.644
Molar Refractivity: 47.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -5.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 129.8±5.0 cm3

Click to predict properties on the Chemicalize site


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