ChemSpider 2D Image | ocotillone | C30H50O3

ocotillone

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID23281677

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(24R)-25-Hydroxy-20,24-epoxydammaran-3-on [German] [ACD/IUPAC Name]
(24R)-25-Hydroxy-20,24-epoxydammaran-3-one [ACD/IUPAC Name]
(24R)-25-Hydroxy-20,24-époxydammaran-3-one [French] [ACD/IUPAC Name]
19865-86-2 [RN]
Dammaran-3-one, 20,24-epoxy-25-hydroxy-, (24R)- [ACD/Index Name]
ocotillone
22549-21-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 531.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 161.7±13.9 °C
Index of Refraction: 1.515
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 108894.37
ACD/KOC (pH 5.5): 140303.03
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 108894.37
ACD/KOC (pH 7.4): 140303.03
Polar Surface Area: 47 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 442.9±3.0 cm3

Click to predict properties on the Chemicalize site


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