ChemSpider 2D Image | (5alpha,6beta)-17-(Cyclopropylmethyl)-3-methoxy(5,6,7,7-~2~H_4_)-4,5-epoxymorphinan-2,6,14-triol | C21H23D4NO5

(5α,6β)-17-(Cyclopropylmethyl)-3-methoxy(5,6,7,7-2H4)-4,5-epoxymorphinan-2,6,14-triol

  • Molecular FormulaC21H23D4NO5
  • Average mass377.467 Da
  • Monoisotopic mass377.214020 Da
  • ChemSpider ID58785120

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α,6β)-17-(Cyclopropylmethyl)-3-methoxy(5,6,7,7-2H4)-4,5-epoxymorphinan-2,6,14-triol [German] [ACD/IUPAC Name]
(5α,6β)-17-(Cyclopropylmethyl)-3-methoxy(5,6,7,7-2H4)-4,5-epoxymorphinan-2,6,14-triol [ACD/IUPAC Name]
(5α,6β)-17-(Cyclopropylméthyl)-3-méthoxy(5,6,7,7-2H4)-4,5-époxymorphinane-2,6,14-triol [French] [ACD/IUPAC Name]
Morphinan-5,6,7,7-d4-2,6,14-triol, 17-(cyclopropylmethyl)-4,5-epoxy-3-methoxy-, (5α,6β)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 592.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.0±30.1 °C
Index of Refraction: 1.698
Molar Refractivity: 97.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 51.65
Polar Surface Area: 82 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 253.7±5.0 cm3

Click to predict properties on the Chemicalize site


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