ChemSpider 2D Image | (5alpha,6alpha)-3-Methoxy-17-methyl-6-(2,5,8,11-tetraoxatridecan-13-yloxy)-4,5-epoxymorphinan-14-ol | C27H41NO8

(5α,6α)-3-Methoxy-17-methyl-6-(2,5,8,11-tetraoxatridecan-13-yloxy)-4,5-epoxymorphinan-14-ol

  • Molecular FormulaC27H41NO8
  • Average mass507.616 Da
  • Monoisotopic mass507.283203 Da
  • ChemSpider ID76805905

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5α,6α)-3-Methoxy-17-methyl-6-(2,5,8,11-tetraoxatridecan-13-yloxy)-4,5-epoxymorphinan-14-ol [German] [ACD/IUPAC Name]
(5α,6α)-3-Methoxy-17-methyl-6-(2,5,8,11-tetraoxatridecan-13-yloxy)-4,5-epoxymorphinan-14-ol [ACD/IUPAC Name]
(5α,6α)-3-Méthoxy-17-méthyl-6-(2,5,8,11-tétraoxatridécan-13-yloxy)-4,5-époxymorphinane-14-ol [French] [ACD/IUPAC Name]
Morphinan-14-ol, 4,5-epoxy-3-methoxy-17-methyl-6-(3,6,9,12-tetraoxatridec-1-yloxy)-, (5α,6α)- [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: 622.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.3±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 48.44
Polar Surface Area: 88 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 404.4±5.0 cm3

Click to predict properties on the Chemicalize site


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