ChemSpider 2D Image | (3alpha,5alpha,8alpha,9beta,10alpha,13alpha,14alpha,16alpha,17alpha)-3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide | C23H32O7

(3α,5α,8α,9β,10α,13α,14α,16α,17α)-3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC23H32O7
  • Average mass420.496 Da
  • Monoisotopic mass420.214813 Da
  • ChemSpider ID113598225

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5α,8α,9β,10α,13α,14α,16α,17α)-3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,5α,8α,9β,10α,13α,14α,16α,17α)-3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3α,5α,8α,9β,10α,13α,14α,16α,17α)-3,5,14,16-Tétrahydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3,5,14,16-tetrahydroxy-19-oxo-, (3α,5α,8α,9β,10α,13α,14α,16α,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: 664.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 230.4±25.0 °C
Index of Refraction: 1.697
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.16
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.16
Polar Surface Area: 124 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 92.0±3.0 dyne/cm
Molar Volume: 279.4±3.0 cm3

Click to predict properties on the Chemicalize site


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