ChemSpider 2D Image | cyclizidine B | C17H27NO2

cyclizidine B

  • Molecular FormulaC17H27NO2
  • Average mass277.402 Da
  • Monoisotopic mass277.204193 Da
  • ChemSpider ID64849030

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3S,8aR)-3-[(1E,3E)-4-Cyclopropyl-2-methyl-1,3-butadien-1-yl]-1-methyloctahydro-1,2-indolizindiol [German] [ACD/IUPAC Name]
(1S,2S,3S,8aR)-3-[(1E,3E)-4-Cyclopropyl-2-methyl-1,3-butadien-1-yl]-1-methyloctahydro-1,2-indolizinediol [ACD/IUPAC Name]
(1S,2S,3S,8aR)-3-[(1E,3E)-4-Cyclopropyl-2-méthyl-1,3-butadién-1-yl]-1-méthyloctahydro-1,2-indolizinediol [French] [ACD/IUPAC Name]
1,2-Indolizinediol, 3-[(1E,3E)-4-cyclopropyl-2-methyl-1,3-butadien-1-yl]octahydro-1-methyl-, (1S,2S,3S,8aR)- [ACD/Index Name]
cyclizidine B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±6.0 kJ/mol
Flash Point: 197.9±21.8 °C
Index of Refraction: 1.582
Molar Refractivity: 81.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.21
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 20.99
ACD/KOC (pH 7.4): 210.71
Polar Surface Area: 44 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 243.0±5.0 cm3

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