ChemSpider 2D Image | (3beta,5alpha,20R,22S,25R)-3-Hydroxyspirostan-12-one | C27H42O4

(3β,5α,20R,22S,25R)-3-Hydroxyspirostan-12-one

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID24589834

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5α,20R,22S,25R)-3-Hydroxyspirostan-12-on [German] [ACD/IUPAC Name]
(3β,5α,20R,22S,25R)-3-Hydroxyspirostan-12-one [ACD/IUPAC Name]
(3β,5α,20R,22S,25R)-3-Hydroxyspirostan-12-one [French] [ACD/IUPAC Name]
Spirostan-12-one, 3-hydroxy-, (3β,5α,20β,22S,25R)- [ACD/Index Name]
Hecogenin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 177.8±23.6 °C
Index of Refraction: 1.559
Molar Refractivity: 119.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 874.78
ACD/KOC (pH 5.5): 4440.29
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 874.78
ACD/KOC (pH 7.4): 4440.29
Polar Surface Area: 56 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 371.1±5.0 cm3

Click to predict properties on the Chemicalize site


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