ChemSpider 2D Image | (1beta,4beta,5xi,9xi,11beta,12alpha,14xi,15beta)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate | C22H30O9

(1β,4β,5ξ,9ξ,11β,12α,14ξ,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate

  • Molecular FormulaC22H30O9
  • Average mass438.468 Da
  • Monoisotopic mass438.188995 Da
  • ChemSpider ID25995639

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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

(1β,4β,5ξ,9ξ,11β,12α,14ξ,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate [ACD/IUPAC Name]
(1β,4β,5ξ,9ξ,11β,12α,14ξ,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1β,4β,5ξ,9ξ,11β,12α,14ξ,15β)-1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicrasan-15-yle [French] [ACD/IUPAC Name]
Picrasane-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-, (1β,4β,5ξ,9ξ,11β,12α,14ξ,15β)- [ACD/Index Name]
HOLACANTHONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 645.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±6.0 kJ/mol
Flash Point: 223.6±25.0 °C
Index of Refraction: 1.599
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.69
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.69
Polar Surface Area: 140 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 303.5±5.0 cm3

Click to predict properties on the Chemicalize site


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