ChemSpider 2D Image | (3alpha,5alpha,8alpha,9beta,10alpha,13alpha,14alpha,17alpha)-3-(2-Bromoacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide | C25H33BrO7

(3α,5α,8α,9β,10α,13α,14α,17α)-3-(2-Bromoacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC25H33BrO7
  • Average mass525.429 Da
  • Monoisotopic mass524.140930 Da
  • ChemSpider ID113598090

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,5α,8α,9β,10α,13α,14α,17α)-3-(2-Bromacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,5α,8α,9β,10α,13α,14α,17α)-3-(2-Bromoacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3α,5α,8α,9β,10α,13α,14α,17α)-3-(2-Bromoacétoxy)-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2-bromoacetyl)oxy]-5,14-dihydroxy-19-oxo-, (3α,5α,8α,9β,10α,13α,14α,17α)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±6.0 kJ/mol
Flash Point: 349.2±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.74
ACD/KOC (pH 5.5): 202.90
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.74
ACD/KOC (pH 7.4): 202.90
Polar Surface Area: 110 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 352.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement