ChemSpider 2D Image | 1,3-Dihydroxy-11-oxo-22,25-epoxyergost-5-en-12-yl acetate | C30H46O6

1,3-Dihydroxy-11-oxo-22,25-epoxyergost-5-en-12-yl acetate

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID383264

More details:

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

1,3-Dihydroxy-11-oxo-22,25-epoxyergost-5-en-12-yl acetate [ACD/IUPAC Name]
1,3-Dihydroxy-11-oxo-22,25-epoxyergost-5-en-12-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 1,3-dihydroxy-11-oxo-22,25-époxyergost-5-én-12-yle [French] [ACD/IUPAC Name]
Ergost-5-en-11-one, 12-(acetyloxy)-22,25-epoxy-1,3-dihydroxy- [ACD/Index Name]

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

NSC329011 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.1±6.0 kJ/mol
Flash Point: 192.1±25.0 °C
Index of Refraction: 1.556
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 638.05
ACD/KOC (pH 5.5): 3542.58
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 638.05
ACD/KOC (pH 7.4): 3542.58
Polar Surface Area: 93 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 426.1±5.0 cm3

Click to predict properties on the Chemicalize site


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