Found 2 results

Search term: NKJUBZPPDRXNOS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(3,6-Dimethoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl)-2-heptanol | C28H39NO4

2-(3,6-Dimethoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl)-2-heptanol

  • Molecular FormulaC28H39NO4
  • Average mass453.614 Da
  • Monoisotopic mass453.287903 Da
  • ChemSpider ID95639765

More details:

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

2-(3,6-Dimethoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl)-2-heptanol [German] [ACD/IUPAC Name]
2-(3,6-Dimethoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl)-2-heptanol [ACD/IUPAC Name]
2-(3,6-Diméthoxy-17-méthyl-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-18-yl)-2-heptanol [French] [ACD/IUPAC Name]
2-Heptanol, 2-(7,8-didehydro-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-18-yl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 564.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.2±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 7.61
ACD/KOC (pH 5.5): 27.71
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 373.47
ACD/KOC (pH 7.4): 1359.38
Polar Surface Area: 51 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 372.0±5.0 cm3

Click to predict properties on the Chemicalize site


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