ChemSpider 2D Image | (3beta,5alpha,13alpha,14alpha)-3,5,14-Trihydroxy-19-(nitrooxy)card-20(22)-enolide | C23H33NO8

(3β,5α,13α,14α)-3,5,14-Trihydroxy-19-(nitrooxy)card-20(22)-enolide

  • Molecular FormulaC23H33NO8
  • Average mass451.510 Da
  • Monoisotopic mass451.220612 Da
  • ChemSpider ID62421238

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,13α,14α)-3,5,14-Trihydroxy-19-(nitrooxy)card-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5α,13α,14α)-3,5,14-Trihydroxy-19-(nitrooxy)card-20(22)-enolide [ACD/IUPAC Name]
(3β,5α,13α,14α)-3,5,14-Trihydroxy-19-(nitrooxy)card-20(22)-énolide [French] [ACD/IUPAC Name]
(3β,5β,9β,10α,13α)-3,5,14-Trihydroxy-19-(nitrooxy)card-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,9β,10α,13α)-3,5,14-Trihydroxy-19-(nitrooxy)card-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,9β,10α,13α)-3,5,14-Trihydroxy-19-(nitrooxy)card-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3,5,14-trihydroxy-19-(nitrooxy)-, (3β,5α,13α,14α)- [ACD/Index Name]
Card-20(22)-enolide, 3,5,14-trihydroxy-19-(nitrooxy)-, (3β,5β,9β,10α,13α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 651.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±6.0 kJ/mol
Flash Point: 348.0±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.51
ACD/KOC (pH 5.5): 132.98
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.51
ACD/KOC (pH 7.4): 132.97
Polar Surface Area: 142 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 316.0±3.0 cm3

Click to predict properties on the Chemicalize site


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