ChemSpider 2D Image | 12-Hydroxy(18,18,18-~2~H_3_)senecionan-11,16-dione | C18H22D3NO5

12-Hydroxy(18,18,18-2H3)senecionan-11,16-dione

  • Molecular FormulaC18H22D3NO5
  • Average mass338.413 Da
  • Monoisotopic mass338.192108 Da
  • ChemSpider ID58783653
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

[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-5-methyl-6-(methyl-d3)-, (5R,6R,14aR,14bR)- [ACD/Index Name]
12-Hydroxy(18,18,18-2H3)senecionan-11,16-dion [German] [ACD/IUPAC Name]
12-Hydroxy(18,18,18-2H3)senecionan-11,16-dione [ACD/IUPAC Name]
12-Hydroxy(18,18,18-2H3)sénécionan-11,16-dione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 563.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 62.05
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.73
ACD/KOC (pH 7.4): 213.10
Polar Surface Area: 76 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 267.2±5.0 cm3

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