ChemSpider 2D Image | (3beta,5alpha,16xi,17xi,22S)-Spirost-9(11)-en-3-ol | C27H42O3

(3β,5α,16ξ,17ξ,22S)-Spirost-9(11)-en-3-ol

  • Molecular FormulaC27H42O3
  • Average mass414.621 Da
  • Monoisotopic mass414.313385 Da
  • ChemSpider ID31106391

  • defined stereocentres - 8 of 11 defined stereocentres

More details:

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

(3β,5α,16ξ,17ξ,22S)-Spirost-9(11)-en-3-ol [German] [ACD/IUPAC Name]
(3β,5α,16ξ,17ξ,22S)-Spirost-9(11)-en-3-ol [ACD/IUPAC Name]
(3β,5α,16ξ,17ξ,22S)-Spirost-9(11)-én-3-ol [French] [ACD/IUPAC Name]
Spirost-9(11)-en-3-ol, (3β,5α,16ξ,17ξ,22S)- [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: 525.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 271.8±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12403.56
ACD/KOC (pH 5.5): 29631.21
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12403.56
ACD/KOC (pH 7.4): 29631.21
Polar Surface Area: 39 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 366.9±5.0 cm3

Click to predict properties on the Chemicalize site


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