ChemSpider 2D Image | (2Z)-N-[(5alpha,6beta)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-3-(3-furyl)-N-(~2~H_3_)methylacrylamide | C28H29D3N2O5

(2Z)-N-[(5α,6β)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-3-(3-furyl)-N-(2H3)methylacrylamide

  • Molecular FormulaC28H29D3N2O5
  • Average mass479.583 Da
  • Monoisotopic mass479.249939 Da
  • ChemSpider ID58782965

  • Double-bond stereo - Double-bond stereo

    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

(2Z)-N-[(5α,6β)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-3-(3-furyl)-N-(2H3)methylacrylamid [German] [ACD/IUPAC Name]
(2Z)-N-[(5α,6β)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-3-(3-furyl)-N-(2H3)methylacrylamide [ACD/IUPAC Name]
(2Z)-N-[(5α,6β)-17-(Cyclopropylméthyl)-3,14-dihydroxy-4,5-époxymorphinane-6-yl]-3-(3-furyl)-N-(2H3)méthylacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-N-(methyl-d3)-, (2Z)- [ACD/Index Name]
914988-10-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.6±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.08
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 12.82
ACD/KOC (pH 7.4): 169.23
Polar Surface Area: 86 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 336.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement