ChemSpider 2D Image | (1beta,3beta,5alpha,17xi,22xi,25R)-Spirostan-1,3-diol | C27H44O4

(1β,3β,5α,17ξ,22ξ,25R)-Spirostan-1,3-diol

  • Molecular FormulaC27H44O4
  • Average mass432.636 Da
  • Monoisotopic mass432.323975 Da
  • ChemSpider ID25994907

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(1β,3β,5α,17ξ,22ξ,25R)-Spirostan-1,3-diol [ACD/IUPAC Name]
(1β,3β,5α,17ξ,22ξ,25R)-Spirostan-1,3-diol [German] [ACD/IUPAC Name]
(1β,3β,5α,17ξ,22ξ,25R)-Spirostan-1,3-diol [French] [ACD/IUPAC Name]
Spirostan-1,3-diol, (1β,3β,5α,17ξ,22ξ,25R)- [ACD/Index 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: 550.5±40.0 °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±27.3 °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: 4.57
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1146.60
ACD/KOC (pH 5.5): 5389.23
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1146.60
ACD/KOC (pH 7.4): 5389.23
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

Click to predict properties on the Chemicalize site


Advertisement