ChemSpider 2D Image | (3beta,5alpha,22S,23S)-3,5,22,23-Tetrahydroxystigmastan-6-one | C29H50O5

(3β,5α,22S,23S)-3,5,22,23-Tetrahydroxystigmastan-6-one

  • Molecular FormulaC29H50O5
  • Average mass478.704 Da
  • Monoisotopic mass478.365814 Da
  • ChemSpider ID23301131

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5α,22S,23S)-3,5,22,23-Tetrahydroxystigmastan-6-on [German] [ACD/IUPAC Name]
(3β,5α,22S,23S)-3,5,22,23-Tetrahydroxystigmastan-6-one [ACD/IUPAC Name]
(3β,5α,22S,23S)-3,5,22,23-Tétrahydroxystigmastan-6-one [French] [ACD/IUPAC Name]
Stigmastan-6-one, 3,5,22,23-tetrahydroxy-, (3β,5α,22S,23S)- [ACD/Index Name]
(22S,23S)-3b,5,22,23-tetrahydroxy-5a-stigmastan-6-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 342.5±28.0 °C
Index of Refraction: 1.546
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 389.58
ACD/KOC (pH 5.5): 2488.58
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 389.58
ACD/KOC (pH 7.4): 2488.57
Polar Surface Area: 98 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 423.5±3.0 cm3

Click to predict properties on the Chemicalize site


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