ChemSpider 2D Image | Myrophine | C38H51NO4

Myrophine

  • Molecular FormulaC38H51NO4
  • Average mass585.816 Da
  • Monoisotopic mass585.381836 Da
  • ChemSpider ID4515045
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(5α,6α)-3-(Benzyloxy)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl myristate [ACD/IUPAC Name]
(5α,6α)-3-(Benzyloxy)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ylmyristat [German] [ACD/IUPAC Name]
3-Benzylmorphine 6-Myristate
3-Benzyloxy-6-myristoyloxymorphine
417TUP54OL
467-18-5 [RN]
468
Benzylmorphine Myristic Acid Ester
Benzylmorphinyl Myristate
Leucodinine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DEA No. 9308 [DBID]
  • Miscellaneous
    • Chemical Class:

      The 3-<element>O</element>-benzyl and 6-myristyl derivative of morphine, for which it is a prodrug. Myrophine is almost invariably used as the hydrochloride. ChEBI CHEBI:59860

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

Density: 1.1±0.1 g/cm3
Boiling Point: 669.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.8±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 172.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 10.12
ACD/LogD (pH 5.5): 7.81
ACD/BCF (pH 5.5): 144691.75
ACD/KOC (pH 5.5): 38725.03
ACD/LogD (pH 7.4): 9.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1938946.00
Polar Surface Area: 48 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 512.2±5.0 cm3

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