ChemSpider 2D Image | Withaferin A diacetate | C32H42O8

Withaferin A diacetate

  • Molecular FormulaC32H42O8
  • Average mass554.671 Da
  • Monoisotopic mass554.287964 Da
  • ChemSpider ID4572621

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(4β,5β,6β,22R)-1,26-Dioxo-5,6:22,26-diepoxyergosta-2,24-dien-4,27-diyl-diacetat [German] [ACD/IUPAC Name]
(4β,5β,6β,22R)-1,26-Dioxo-5,6:22,26-diepoxyergosta-2,24-diene-4,27-diyl diacetate [ACD/IUPAC Name]
Diacétate de (4β,5β,6β,22R)-1,26-dioxo-5,6:22,26-diépoxyergosta-2,24-diène-4,27-diyle [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 4,27-bis(acetyloxy)-5,6:22,26-diepoxy-, (4β,5β,6β,22R)- [ACD/Index Name]
Withaferin A diacetate
22848-79-9 [RN]

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

NSC328416 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 281.6±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1636.33
ACD/KOC (pH 5.5): 6951.63
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1636.33
ACD/KOC (pH 7.4): 6951.63
Polar Surface Area: 109 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 442.3±5.0 cm3

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