ChemSpider 2D Image | 3-(2-Bromoacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide | C25H33BrO7

3-(2-Bromoacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC25H33BrO7
  • Average mass525.429 Da
  • Monoisotopic mass524.140930 Da
  • ChemSpider ID230800

More details:

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

3-(2-Bromacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
3-(2-Bromoacetoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
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- [ACD/Index Name]
4956-18-7 [RN]
SIBA
Strophanthidin, 3-bromoacetate

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

NSC96738 [DBID]

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

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