ChemSpider 2D Image | (7beta,8beta,12S,15Z)-11,16-Dioxo-13,19-didehydrosenecionan-12-yl acetate | C20H25NO6

(7β,8β,12S,15Z)-11,16-Dioxo-13,19-didehydrosenecionan-12-yl acetate

  • Molecular FormulaC20H25NO6
  • Average mass375.416 Da
  • Monoisotopic mass375.168182 Da
  • ChemSpider ID82965840

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(7β,8β,12S,15Z)-11,16-Dioxo-13,19-didehydrosenecionan-12-yl acetate [ACD/IUPAC Name]
(7β,8β,12S,15Z)-11,16-Dioxo-13,19-didehydrosenecionan-12-yl-acetat [German] [ACD/IUPAC Name]
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 6-(acetyloxy)-3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-methyl-5-methylene-, (3Z,6S,14aS,14bS)- [ACD/Index Name]
Acétate de (7β,8β,12S,15Z)-11,16-dioxo-13,19-didéhydrosénécionan-12-yle [French] [ACD/IUPAC 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: 585.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 7.22
ACD/KOC (pH 5.5): 105.51
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.72
ACD/KOC (pH 7.4): 302.63
Polar Surface Area: 82 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 299.6±5.0 cm3

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