ChemSpider 2D Image | leucopaxillone B | C34H52O8

leucopaxillone B

  • Molecular FormulaC34H52O8
  • Average mass588.772 Da
  • Monoisotopic mass588.366211 Da
  • ChemSpider ID10179895
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(4R,9β,11β,22R,24R)-11,25-Dihydroxy-9,10,14-trimethyl-1-oxo-11,18-epoxy-4,9-cyclo-9,10-secocholest-5-en-22,24-diyl-diacetat [German] [ACD/IUPAC Name]
(4R,9β,11β,22R,24R)-11,25-Dihydroxy-9,10,14-trimethyl-1-oxo-11,18-epoxy-4,9-cyclo-9,10-secocholest-5-ene-22,24-diyl diacetate [ACD/IUPAC Name]
Diacétate de (4R,9β,11β,22R,24R)-11,25-dihydroxy-9,10,14-triméthyl-1-oxo-11,18-époxy-4,9-cyclo-9,10-sécocholest-5-ène-22,24-diyle [French] [ACD/IUPAC Name]
Estr-5-en-3-one, 17-[(1S,2R,4R)-2,4-bis(acetyloxy)-5-hydroxy-1,5-dimethylhexyl]-11,18-epoxy-11-hydroxy-4,4,9,14-tetramethyl-, (9β,10α,11β,17β)- [ACD/Index Name]
leucopaxillone B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 206.2±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 428.70
ACD/KOC (pH 5.5): 2665.01
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 428.70
ACD/KOC (pH 7.4): 2665.00
Polar Surface Area: 119 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 491.8±5.0 cm3

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