ChemSpider 2D Image | (7alpha,14R)-14-Hydroxy-7,10-epoxygrayanotoxa-1,16-dien-15-one | C20H26O3

(7α,14R)-14-Hydroxy-7,10-epoxygrayanotoxa-1,16-dien-15-one

  • Molecular FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID24660906
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(7α,14R)-14-Hydroxy-7,10-epoxygrayanotoxa-1,16-dien-15-on [German] [ACD/IUPAC Name]
(7α,14R)-14-Hydroxy-7,10-epoxygrayanotoxa-1,16-dien-15-one [ACD/IUPAC Name]
(7α,14R)-14-Hydroxy-7,10-époxygrayanotoxa-1,16-dién-15-one [French] [ACD/IUPAC Name]
Grayanotoxa-1,16-dien-15-one, 7,10-epoxy-14-hydroxy-, (7α,14R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.4±6.0 kJ/mol
Flash Point: 169.8±22.2 °C
Index of Refraction: 1.593
Molar Refractivity: 87.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.97
ACD/KOC (pH 5.5): 892.36
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.97
ACD/KOC (pH 7.4): 892.36
Polar Surface Area: 47 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 256.6±5.0 cm3

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