ChemSpider 2D Image | (5alpha,8xi,9xi,14xi,16xi,17xi)-12-Oxofurost-20(22)-en-3,26-diyl diacetate | C31H46O6

(5α,8ξ,9ξ,14ξ,16ξ,17ξ)-12-Oxofurost-20(22)-en-3,26-diyl diacetate

  • Molecular FormulaC31H46O6
  • Average mass514.693 Da
  • Monoisotopic mass514.329468 Da
  • ChemSpider ID17461956

  • defined stereocentres - 3 of 10 defined stereocentres

More details:

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

(5α,8ξ,9ξ,14ξ,16ξ,17ξ)-12-Oxofurost-20(22)-en-3,26-diyl diacetate [ACD/IUPAC Name]
(5α,8ξ,9ξ,14ξ,16ξ,17ξ)-12-Oxofurost-20(22)-en-3,26-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (5α,8ξ,9ξ,14ξ,16ξ,17ξ)-12-oxofurost-20(22)-én-3,26-diyle [French] [ACD/IUPAC Name]
Furost-20(22)-en-12-one, 3,26-bis(acetyloxy)-, (5α,8ξ,9ξ,14ξ,16ξ,17ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 596.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 248.8±30.2 °C
Index of Refraction: 1.538
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18393.37
ACD/KOC (pH 5.5): 39285.39
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18393.37
ACD/KOC (pH 7.4): 39285.39
Polar Surface Area: 79 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 448.6±5.0 cm3

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