ChemSpider 2D Image | (3beta,5alpha,6beta,9xi,14xi,25R)-Spirostan-3,6-diol | C27H44O4

(3β,5α,6β,9ξ,14ξ,25R)-Spirostan-3,6-diol

  • Molecular FormulaC27H44O4
  • Average mass432.636 Da
  • Monoisotopic mass432.323975 Da
  • ChemSpider ID68723325
  • defined stereocentres - 11 of 13 defined stereocentres


More details:






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

(3β,5α,6β,9ξ,14ξ,25R)-Spirostan-3,6-diol [German] [ACD/IUPAC Name]
(3β,5α,6β,9ξ,14ξ,25R)-Spirostan-3,6-diol [ACD/IUPAC Name]
(3β,5α,6β,9ξ,14ξ,25R)-Spirostan-3,6-diol [French] [ACD/IUPAC Name]
Spirostan-3,6-diol, (3β,5α,6β,9ξ,14ξ,25R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 286.7±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1076.70
ACD/KOC (pH 5.5): 5151.96
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1076.70
ACD/KOC (pH 7.4): 5151.96
Polar Surface Area: 59 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 372.2±5.0 cm3

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