ChemSpider 2D Image | (3beta,4beta,5xi,6alpha,7alpha,8xi,15alpha,16beta,17xi)-4,9-Epoxycevane-3,4,6,7,14,15,16,20-octol | C27H43NO9

(3β,4β,5ξ,6α,7α,8ξ,15α,16β,17ξ)-4,9-Epoxycevane-3,4,6,7,14,15,16,20-octol

  • Molecular FormulaC27H43NO9
  • Average mass525.632 Da
  • Monoisotopic mass525.293762 Da
  • ChemSpider ID25995644
  • defined stereocentres - 14 of 17 defined stereocentres


More details:






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

(3β,4β,5ξ,6α,7α,8ξ,15α,16β,17ξ)-4,9-Epoxycevan-3,4,6,7,14,15,16,20-octol [German] [ACD/IUPAC Name]
(3β,4β,5ξ,6α,7α,8ξ,15α,16β,17ξ)-4,9-Epoxycevane-3,4,6,7,14,15,16,20-octol [ACD/IUPAC Name]
(3β,4β,5ξ,6α,7α,8ξ,15α,16β,17ξ)-4,9-Époxycévane-3,4,6,7,14,15,16,20-octol [French] [ACD/IUPAC Name]
Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, (3β,4β,5ξ,6α,7α,8ξ,15α,16β,17ξ)- [ACD/Index Name]
CEVANE-3,4,6,7,14,15,16,20-OCTOL,4,9-EPOXY-,(3SS,4A,,6A,7A,15A,16SS)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 711.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.8±6.0 kJ/mol
Flash Point: 383.8±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.91
Polar Surface Area: 174 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 90.1±5.0 dyne/cm
Molar Volume: 339.2±5.0 cm3

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