ChemSpider 2D Image | (3beta,5alpha,6alpha,24S)-Stigmastane-3,5,6-triol | C29H52O3

(3β,5α,6α,24S)-Stigmastane-3,5,6-triol

  • Molecular FormulaC29H52O3
  • Average mass448.721 Da
  • Monoisotopic mass448.391632 Da
  • ChemSpider ID29216361

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5α,6α,24S)-Stigmastan-3,5,6-triol [German] [ACD/IUPAC Name]
(3β,5α,6α,24S)-Stigmastane-3,5,6-triol [ACD/IUPAC Name]
(3β,5α,6α,24S)-Stigmastane-3,5,6-triol [French] [ACD/IUPAC Name]
Stigmastane-3,5,6-triol, (3β,5α,6α,24S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 535.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 216.2±21.9 °C
Index of Refraction: 1.532
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49587.98
ACD/KOC (pH 5.5): 79897.39
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49587.98
ACD/KOC (pH 7.4): 79897.39
Polar Surface Area: 61 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 428.3±3.0 cm3

Click to predict properties on the Chemicalize site


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