ChemSpider 2D Image | (3alpha,5alpha,8alpha,9beta,10alpha,13alpha,14alpha,17alpha)-3,5,14,19-Tetrahydroxy-19-oxocard-20(22)-enolide | C23H32O7

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

  • Molecular FormulaC23H32O7
  • Average mass420.496 Da
  • Monoisotopic mass420.214813 Da
  • ChemSpider ID113598717

  • 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)-3,5,14,19-Tetrahydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,5α,8α,9β,10α,13α,14α,17α)-3,5,14,19-Tetrahydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3α,5α,8α,9β,10α,13α,14α,17α)-3,5,14,19-Tétrahydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3,5,14,19-tetrahydroxy-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: 670.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±6.0 kJ/mol
Flash Point: 232.9±25.0 °C
Index of Refraction: 1.654
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 80.8±3.0 dyne/cm
Molar Volume: 288.1±3.0 cm3

Click to predict properties on the Chemicalize site


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