ChemSpider 2D Image | (5alpha,7alpha,22E,24xi)-3-Oxostigmast-22-en-7-yl benzoate | C36H52O3

(5α,7α,22E,24ξ)-3-Oxostigmast-22-en-7-yl benzoate

  • Molecular FormulaC36H52O3
  • Average mass532.796 Da
  • Monoisotopic mass532.391663 Da
  • ChemSpider ID8967683

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(5α,7α,22E,24ξ)-3-Oxostigmast-22-en-7-yl benzoate [ACD/IUPAC Name]
(5α,7α,22E,24ξ)-3-Oxostigmast-22-en-7-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (5α,7α,22E,24ξ)-3-oxostigmast-22-én-7-yle [French] [ACD/IUPAC Name]
Stigmast-22-en-3-one, 7-(benzoyloxy)-, (5α,7α,22E,24ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 601.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 246.9±26.8 °C
Index of Refraction: 1.547
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.04
ACD/LogD (pH 5.5): 9.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3211501.50
ACD/LogD (pH 7.4): 9.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3211501.50
Polar Surface Area: 43 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 501.8±5.0 cm3

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