ChemSpider 2D Image | neosenkirkine | C19H27NO6

neosenkirkine

  • Molecular FormulaC19H27NO6
  • Average mass365.421 Da
  • Monoisotopic mass365.183838 Da
  • ChemSpider ID23327363

  • 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

(1R,4E,6R,7R,11Z)-4-Ethyliden-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-3,8,17-trion [German] [ACD/IUPAC Name]
(1R,4E,6R,7R,11Z)-4-Ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione [ACD/IUPAC Name]
(1R,4E,6R,7R,11Z)-4-Éthylidène-7-hydroxy-6,7,14-triméthyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadéc-11-ène-3,8,17-trione [French] [ACD/IUPAC Name]
2,9-Dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione, 4-ethylidene-7-hydroxy-6,7,14-trimethyl-, (1R,4E,6R,7R,11Z)- [ACD/Index Name]
57194-70-4 [RN]
neosenkirkine
2,9-DIOXA-14-AZABICYCLO[9.5.1]HEPTADEC-11-ENE-3,8,17-TRIONE,4-ETHYLIDENE-7-HYDROXY-6,7,14-TRIMETHYL-, (1R,4E,6R,7R)-
60827-69-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469650/
Senkirkin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 604.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.2±6.0 kJ/mol
Flash Point: 319.6±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 94.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.81
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.08
ACD/KOC (pH 7.4): 162.83
Polar Surface Area: 93 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 298.4±5.0 cm3

Click to predict properties on the Chemicalize site


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