ChemSpider 2D Image | 6-Hydroxy-1-{1-[1-(hydroxymethyl)-6-methyl-2-oxo-3,7-dioxabicyclo[4.1.0]hept-4-yl]ethyl}-8a,10a-dimethyltetradecahydrocyclopenta[7,8]oxireno[10,10a]phenanthro[2,3-b]oxiren-8(6H)-one (non-preferred nam e) | C28H38O8

6-Hydroxy-1-{1-[1-(hydroxymethyl)-6-methyl-2-oxo-3,7-dioxabicyclo[4.1.0]hept-4-yl]ethyl}-8a,10a-dimethyltetradecahydrocyclopenta[7,8]oxireno[10,10a]phenanthro[2,3-b]oxiren-8(6H)-one (non-preferred nam e)

  • Molecular FormulaC28H38O8
  • Average mass502.596 Da
  • Monoisotopic mass502.256653 Da
  • ChemSpider ID383735

More details:

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

6-Hydroxy-1-{1-[1-(hydroxymethyl)-6-methyl-2-oxo-3,7-dioxabicyclo[4.1.0]hept-4-yl]ethyl}-8a,10a-dimethyltetradecahydrocyclopenta[7,8]oxireno[10,10a]phenanthro[2,3-b]oxiren-8(6H)-on (non-preferred name ) [German] [ACD/IUPAC Name]
6-Hydroxy-1-{1-[1-(hydroxymethyl)-6-methyl-2-oxo-3,7-dioxabicyclo[4.1.0]hept-4-yl]ethyl}-8a,10a-dimethyltetradecahydrocyclopenta[7,8]oxireno[10,10a]phenanthro[2,3-b]oxiren-8(6H)-one (non-preferred nam e) [ACD/IUPAC Name]
6-Hydroxy-1-{1-[1-(hydroxyméthyl)-6-méthyl-2-oxo-3,7-dioxabicyclo[4.1.0]hept-4-yl]éthyl}-8a,10a-diméthyltétradécahydrocyclopenta[7,8]oxiréno[10,10a]phénanthro[2,3-b]oxirén-8(6H)-one (non-preferred nam e) [French] [ACD/IUPAC Name]
2,3-24,25-Diepoxywithaferin A
WITHAFERIN A, DIEPOXY-

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

NSC339664 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 227.7±25.0 °C
Index of Refraction: 1.620
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.82
ACD/KOC (pH 5.5): 151.70
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.82
ACD/KOC (pH 7.4): 151.70
Polar Surface Area: 121 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 357.1±5.0 cm3

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