ChemSpider 2D Image | (−)-Castanospermine | C8H15NO4

(−)-Castanospermine

  • Molecular FormulaC8H15NO4
  • Average mass189.209 Da
  • Monoisotopic mass189.100113 Da
  • ChemSpider ID29342229
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(−)-Castanospermine
(1R,6R,7S,8S,8aS)-Octahydro-1,6,7,8-indolizinetetrol [ACD/IUPAC Name]
(1R,6R,7S,8S,8aS)-Octahydro-1,6,7,8-indolizinetétrol [French] [ACD/IUPAC Name]
(1R,6R,7S,8S,8aS)-Octahydro-1,6,7,8-indolizintetrol [German] [ACD/IUPAC Name]
1,6,7,8-Indolizinetetrol, octahydro-, (1R,6R,7S,8S,8aS)- [ACD/Index Name]
Castanospermine [Wiki]
(1S,6S,7R,8R,8aR)-Octahydro-1,6,7,8-indolizinetetrol [ACD/IUPAC Name]
Castanospermine from Castanospermum austral
octahydro-(1S,6S,7R,8R,8aR)-1,6,7,8-indolizinetetrol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 421.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±6.0 kJ/mol
Flash Point: 267.6±27.4 °C
Index of Refraction: 1.647
Molar Refractivity: 44.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.88
Polar Surface Area: 84 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 85.4±5.0 dyne/cm
Molar Volume: 123.5±5.0 cm3

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