ChemSpider 2D Image | (5alpha,8xi,9xi,10xi,13xi,14xi,16xi,17xi,20xi,22xi)-3,12-Dihydroxyspirostan-11-one | C27H42O5

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-3,12-Dihydroxyspirostan-11-one

  • Molecular FormulaC27H42O5
  • Average mass446.619 Da
  • Monoisotopic mass446.303223 Da
  • ChemSpider ID22902755

  • defined stereocentres - 1 of 13 defined stereocentres

More details:

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

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-3,12-Dihydroxyspirostan-11-on [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-3,12-Dihydroxyspirostan-11-one [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-3,12-Dihydroxyspirostan-11-one [French] [ACD/IUPAC Name]
Spirostan-11-one, 3,12-dihydroxy-, (5α,8ξ,9ξ,10ξ,13ξ,14ξ,16ξ,17ξ,20ξ,22ξ)- [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: 583.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 190.6±23.6 °C
Index of Refraction: 1.571
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.16
ACD/KOC (pH 5.5): 788.16
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.16
ACD/KOC (pH 7.4): 788.16
Polar Surface Area: 76 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 369.0±5.0 cm3

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