ChemSpider 2D Image | (15E)-12-Hydroxy(18,18,18-~2~H_3_)-13,19-didehydrosenecionan-11,16-dione | C18H20D3NO5

(15E)-12-Hydroxy(18,18,18-2H3)-13,19-didehydrosenecionan-11,16-dione

  • Molecular FormulaC18H20D3NO5
  • Average mass336.397 Da
  • Monoisotopic mass336.176453 Da
  • ChemSpider ID58784088

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(15E)-12-Hydroxy(18,18,18-2H3)-13,19-didehydrosenecionan-11,16-dion [German] [ACD/IUPAC Name]
(15E)-12-Hydroxy(18,18,18-2H3)-13,19-didehydrosenecionan-11,16-dione [ACD/IUPAC Name]
(15E)-12-Hydroxy(18,18,18-2H3)-13,19-didéhydrosénécionan-11,16-dione [French] [ACD/IUPAC Name]
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-(methyl-d3)-5-methylene-, (3E,6R,14aR,14bR)- [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: 577.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.2±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 3.00
ACD/KOC (pH 5.5): 53.18
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.42
ACD/KOC (pH 7.4): 184.57
Polar Surface Area: 76 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 261.7±5.0 cm3

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