ChemSpider 2D Image | (1beta,2alpha,12alpha,15beta)-11,16-Dioxopicras-3-ene-1,2,12,15,20-pentayl pentaacetate | C30H38O13

(1β,2α,12α,15β)-11,16-Dioxopicras-3-ene-1,2,12,15,20-pentayl pentaacetate

  • Molecular FormulaC30H38O13
  • Average mass606.615 Da
  • Monoisotopic mass606.231262 Da
  • ChemSpider ID62874063

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1β,2α,12α,15β)-11,16-Dioxopicras-3-en-1,2,12,15,20-pentayl-pentaacetat [German] [ACD/IUPAC Name]
(1β,2α,12α,15β)-11,16-Dioxopicras-3-ene-1,2,12,15,20-pentayl pentaacetate [ACD/IUPAC Name]
1183-64-8 [RN]
Pentaacétate de (1β,2α,12α,15β)-11,16-dioxopicras-3-ène-1,2,12,15,20-pentayle [French] [ACD/IUPAC Name]
Picras-3-ene-11,16-dione, 1,2,12,15,20-pentakis(acetyloxy)-, (1β,2α,12α,15β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 278.0±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.34
ACD/KOC (pH 5.5): 670.36
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.34
ACD/KOC (pH 7.4): 670.36
Polar Surface Area: 175 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 456.9±5.0 cm3

Click to predict properties on the Chemicalize site


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