ChemSpider 2D Image | (5alpha,6beta,14beta,18R)-18-[(2S)-2-Hydroxy-3,3-bis[(~2~H_3_)methyl](4,4,4-~2~H_3_)-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C25H26D9NO4

(5α,6β,14β,18R)-18-[(2S)-2-Hydroxy-3,3-bis[(2H3)methyl](4,4,4-2H3)-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC25H26D9NO4
  • Average mass422.605 Da
  • Monoisotopic mass422.313110 Da
  • ChemSpider ID128733891

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α,6β,14β,18R)-18-[(2S)-2-Hydroxy-3,3-bis[(2H3)methyl](4,4,4-2H3)-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,6β,14β,18R)-18-[(2S)-2-Hydroxy-3,3-bis[(2H3)methyl](4,4,4-2H3)-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,6β,14β,18R)-18-[(2S)-2-Hydroxy-3,3-bis[(2H3)méthyl](4,4,4-2H3)-2-butanyl]-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 4,5-epoxy-18,19-dihydro-18-[(1S)-1-hydroxy-1-methyl-2,2-di(methyl-d3)propyl-3,3,3-d3]-6-methoxy-, (5α,6β,14β,18R)- [ACD/Index Name]
1309388-84-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.1±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 14.81
Polar Surface Area: 71 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 323.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement