ChemSpider 2D Image | (3beta,5alpha,9xi,17beta,22beta)-3-Hydroxycevan-6-one | C27H43NO2

(3β,5α,9ξ,17β,22β)-3-Hydroxycevan-6-one

  • Molecular FormulaC27H43NO2
  • Average mass413.636 Da
  • Monoisotopic mass413.329376 Da
  • ChemSpider ID54868861
  • defined stereocentres - 11 of 12 defined stereocentres


More details:






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

(3β,5α,9ξ,17β,22β)-3-Hydroxycevan-6-on [German] [ACD/IUPAC Name]
(3β,5α,9ξ,17β,22β)-3-Hydroxycevan-6-one [ACD/IUPAC Name]
(3β,5α,9ξ,17β,22β)-3-Hydroxycévan-6-one [French] [ACD/IUPAC Name]
Cevan-6-one, 3-hydroxy-, (3β,5α,9ξ,17β,22β)- [ACD/Index Name]
Delavinone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 536.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 278.2±25.9 °C
Index of Refraction: 1.570
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 4.17
ACD/KOC (pH 5.5): 12.79
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 10.41
ACD/KOC (pH 7.4): 31.93
Polar Surface Area: 41 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 365.8±5.0 cm3

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