ChemSpider 2D Image | (3beta,22E,24xi)-3-Hydroxystigmasta-5,8,22-trien-7-one | C29H44O2

(3β,22E,24ξ)-3-Hydroxystigmasta-5,8,22-trien-7-one

  • Molecular FormulaC29H44O2
  • Average mass424.659 Da
  • Monoisotopic mass424.334137 Da
  • ChemSpider ID29214157
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(3β,22E,24ξ)-3-Hydroxystigmasta-5,8,22-trien-7-on [German] [ACD/IUPAC Name]
(3β,22E,24ξ)-3-Hydroxystigmasta-5,8,22-trien-7-one [ACD/IUPAC Name]
(3β,22E,24ξ)-3-Hydroxystigmasta-5,8,22-trién-7-one [French] [ACD/IUPAC Name]
Stigmasta-5,8,22-trien-7-one, 3-hydroxy-, (3β,22E,24ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 546.5±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 230.1±22.4 °C
Index of Refraction: 1.546
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 7.31
ACD/BCF (pH 5.5): 210448.52
ACD/KOC (pH 5.5): 224845.09
ACD/LogD (pH 7.4): 7.31
ACD/BCF (pH 7.4): 210448.52
ACD/KOC (pH 7.4): 224845.09
Polar Surface Area: 37 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 406.3±5.0 cm3

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