ChemSpider 2D Image | (3beta,17xi,20xi,24E)-Stigmasta-5,24(28)-diene-3,29-diol | C29H48O2

(3β,17ξ,20ξ,24E)-Stigmasta-5,24(28)-diene-3,29-diol

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID40256495

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,17ξ,20ξ,24E)-Stigmasta-5,24(28)-dien-3,29-diol [German] [ACD/IUPAC Name]
(3β,17ξ,20ξ,24E)-Stigmasta-5,24(28)-diene-3,29-diol [ACD/IUPAC Name]
(3β,17ξ,20ξ,24E)-Stigmasta-5,24(28)-diène-3,29-diol [French] [ACD/IUPAC Name]
Stigmasta-5,24(28)-diene-3,29-diol, (3β,17ξ,20ξ,24E)- [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: 542.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 223.1±17.8 °C
Index of Refraction: 1.543
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 7.45
ACD/BCF (pH 5.5): 272966.31
ACD/KOC (pH 5.5): 270857.69
ACD/LogD (pH 7.4): 7.45
ACD/BCF (pH 7.4): 272966.31
ACD/KOC (pH 7.4): 270857.69
Polar Surface Area: 40 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 414.2±5.0 cm3

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