ChemSpider 2D Image | (3beta,21R,24S)-21,24-Cyclolanost-8-ene-3,21,25-triol | C30H50O3

(3β,21R,24S)-21,24-Cyclolanost-8-ene-3,21,25-triol

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID78437969

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,21R,24S)-21,24-Cyclolanost-8-en-3,21,25-triol [German] [ACD/IUPAC Name]
(3β,21R,24S)-21,24-Cyclolanost-8-ene-3,21,25-triol [ACD/IUPAC Name]
(3β,21R,24S)-21,24-Cyclolanost-8-ène-3,21,25-triol [French] [ACD/IUPAC Name]
21,24-Cyclolanost-8-ene-3,21,25-triol, (3β,21R,24S)- [ACD/Index Name]
inonotsutriols A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 562.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 230.1±24.7 °C
Index of Refraction: 1.561
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 90947.70
ACD/KOC (pH 5.5): 123333.93
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 90947.70
ACD/KOC (pH 7.4): 123333.93
Polar Surface Area: 61 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 416.0±5.0 cm3

Click to predict properties on the Chemicalize site


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