ChemSpider 2D Image | (5xi,6alpha,8xi,9beta,17xi,24R)-25-Hydroxy-20,24-epoxy-9,19-cyclolanostane-3,6,16-triyl triacetate | C36H56O8

(5ξ,6α,8ξ,9β,17ξ,24R)-25-Hydroxy-20,24-epoxy-9,19-cyclolanostane-3,6,16-triyl triacetate

  • Molecular FormulaC36H56O8
  • Average mass616.825 Da
  • Monoisotopic mass616.397522 Da
  • ChemSpider ID71299265

  • defined stereocentres - 7 of 12 defined stereocentres

More details:

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

(5ξ,6α,8ξ,9β,17ξ,24R)-25-Hydroxy-20,24-epoxy-9,19-cyclolanostan-3,6,16-triyl-triacetat [German] [ACD/IUPAC Name]
(5ξ,6α,8ξ,9β,17ξ,24R)-25-Hydroxy-20,24-epoxy-9,19-cyclolanostane-3,6,16-triyl triacetate [ACD/IUPAC Name]
9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-, 3,6,16-triacetate, (5ξ,6α,8ξ,9β,17ξ,24R)- [ACD/Index Name]
Triacétate de (5ξ,6α,8ξ,9β,17ξ,24R)-25-hydroxy-20,24-époxy-9,19-cyclolanostane-3,6,16-triyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 638.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 187.7±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 165.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27606.60
ACD/KOC (pH 5.5): 52536.59
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27606.60
ACD/KOC (pH 7.4): 52536.59
Polar Surface Area: 108 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 521.6±5.0 cm3

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