ChemSpider 2D Image | (3beta,28S)-28-Hydroxy-28-[(2R)-5-oxo-2,5-dihydro-2-furanyl]lup-20(29)-en-3-yl acetate | C36H54O5

(3β,28S)-28-Hydroxy-28-[(2R)-5-oxo-2,5-dihydro-2-furanyl]lup-20(29)-en-3-yl acetate

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID24651736

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,28S)-28-Hydroxy-28-[(2R)-5-oxo-2,5-dihydro-2-furanyl]lup-20(29)-en-3-yl acetate [ACD/IUPAC Name]
(3β,28S)-28-Hydroxy-28-[(2R)-5-oxo-2,5-dihydro-2-furanyl]lup-20(29)-en-3-yl-acetat [German] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(3β,28S)-3-(acetyloxy)-28-hydroxylup-20(29)-en-28-yl]-, (5R)- [ACD/Index Name]
Acétate de (3β,28S)-28-hydroxy-28-[(2R)-5-oxo-2,5-dihydro-2-furanyl]lup-20(29)-én-3-yle [French] [ACD/IUPAC 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: 642.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.6±6.0 kJ/mol
Flash Point: 192.9±18.1 °C
Index of Refraction: 1.556
Molar Refractivity: 161.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 8.01
ACD/BCF (pH 5.5): 720613.25
ACD/KOC (pH 5.5): 542641.88
ACD/LogD (pH 7.4): 8.01
ACD/BCF (pH 7.4): 720612.50
ACD/KOC (pH 7.4): 542641.25
Polar Surface Area: 73 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 501.3±5.0 cm3

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