ChemSpider 2D Image | 1,3-di-epi-(−)-pochonicine | C11H20N2O5

1,3-di-epi-(−)-pochonicine

  • Molecular FormulaC11H20N2O5
  • Average mass260.287 Da
  • Monoisotopic mass260.137207 Da
  • ChemSpider ID24645923

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1,3-di-epi-(−)-pochonicine
Acetamide, N-[[(1R,2S,3S,5S,7R,7aS)-hexahydro-1,2,7-trihydroxy-5-(hydroxymethyl)-1H-pyrrolizin-3-yl]methyl]- [ACD/Index Name]
N-{[(1R,2S,3S,5S,7R,7aS)-1,2,7-Trihydroxy-5-(hydroxymethyl)hexahydro-1H-pyrrolizin-3-yl]methyl}acetamid [German] [ACD/IUPAC Name]
N-{[(1R,2S,3S,5S,7R,7aS)-1,2,7-Trihydroxy-5-(hydroxymethyl)hexahydro-1H-pyrrolizin-3-yl]methyl}acetamide [ACD/IUPAC Name]
N-{[(1R,2S,3S,5S,7R,7aS)-1,2,7-Trihydroxy-5-(hydroxyméthyl)hexahydro-1H-pyrrolizin-3-yl]méthyl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 584.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 307.1±23.2 °C
Index of Refraction: 1.620
Molar Refractivity: 62.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.77
Polar Surface Area: 113 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 177.9±5.0 cm3

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