ChemSpider 2D Image | (3beta,5beta,8xi,9xi,17xi)-3-[(2-Acetoxypropanoyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide | C28H38O9

(3β,5β,8ξ,9ξ,17ξ)-3-[(2-Acetoxypropanoyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC28H38O9
  • Average mass518.596 Da
  • Monoisotopic mass518.251587 Da
  • ChemSpider ID41794

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,17ξ)-3-[(2-Acetoxypropanoyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,17ξ)-3-[(2-Acetoxypropanoyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,17ξ)-3-[(2-Acétoxypropanoyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[2-(acetyloxy)-1-oxopropoxy]-5,14-dihydroxy-19-oxo-, (3β,5β,8ξ,9ξ,17ξ)- [ACD/Index Name]
(3-β,5-β)-3-(2-(Acetyloxy)-1-oxopropoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
4-18-00-03134 [Beilstein]
5-β-CARD-20(22)-ENOLIDE, 3-β-(2-(ACETYLOXY)-1-OXOPROPOXY)-5,14-DIHYDROXY-1
5-β-Card-20(22)-enolide, 3-β-(2-(acetyloxy)-1-oxopropoxy)-5,14-dihydroxy-19-oxo-
63979-64-6 [RN]
k-Strophanthidin, α-acetyloxypropionyl-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 0071132 [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: 673.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 219.5±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.39
ACD/KOC (pH 5.5): 159.52
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.39
ACD/KOC (pH 7.4): 159.52
Polar Surface Area: 136 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 390.9±5.0 cm3

Click to predict properties on the Chemicalize site


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