ChemSpider 2D Image | amino-australine | C8H16N2O3

amino-australine

  • Molecular FormulaC8H16N2O3
  • Average mass188.224 Da
  • Monoisotopic mass188.116089 Da
  • ChemSpider ID25059033

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,3R,7S,7aR)-3-(Aminomethyl)hexahydro-1H-pyrrolizin-1,2,7-triol [German] [ACD/IUPAC Name]
(1R,2R,3R,7S,7aR)-3-(Aminomethyl)hexahydro-1H-pyrrolizine-1,2,7-triol [ACD/IUPAC Name]
(1R,2R,3R,7S,7aR)-3-(Aminométhyl)hexahydro-1H-pyrrolizine-1,2,7-triol [French] [ACD/IUPAC Name]
1H-Pyrrolizine-1,2,7-triol, 3-(aminomethyl)hexahydro-, (1R,2R,3R,7S,7aR)- [ACD/Index Name]
amino-australine
1197007-62-7 [RN]
X09

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

Density: 1.5±0.1 g/cm3
Boiling Point: 396.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.7±6.0 kJ/mol
Flash Point: 193.4±23.2 °C
Index of Refraction: 1.644
Molar Refractivity: 47.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -5.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
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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