Found 4 results

Search term: LJFIFOPYTFFRKD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5alpha,6alpha)-17-(~2~H_3_)Ethanoyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl di(~2~H_3_)acetate | C22H14D9NO6

(5α,6α)-17-(2H3)Ethanoyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl di(2H3)acetate

  • Molecular FormulaC22H14D9NO6
  • Average mass406.477 Da
  • Monoisotopic mass406.209015 Da
  • ChemSpider ID115041997

  • 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,6α)-17-(2H3)Ethanoyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl di(2H3)acetate [ACD/IUPAC Name]
(5α,6α)-17-(2H3)Ethanoyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl-di(2H3)acetat [German] [ACD/IUPAC Name]
Acetic-d3 acid, (5α,6α)-7,8-didehydro-4,5-epoxy-17-(1-oxoethyl-2,2,2-d3)morphinan-3,6-diyl ester [ACD/Index Name]
Di(2H3)acétate de (5α,6α)-17-(2H3)éthanoyl-7,8-didéhydro-4,5-époxymorphinane-3,6-diyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 566.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.6±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.58
ACD/KOC (pH 5.5): 213.15
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.58
ACD/KOC (pH 7.4): 213.15
Polar Surface Area: 82 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 286.7±5.0 cm3

Click to predict properties on the Chemicalize site


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