ChemSpider 2D Image | (2R)-2-[(5alpha,18R)-3-Butoxy-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-4-phenyl-2-butanol | C34H43NO4

(2R)-2-[(5α,18R)-3-Butoxy-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-4-phenyl-2-butanol

  • Molecular FormulaC34H43NO4
  • Average mass529.709 Da
  • Monoisotopic mass529.319214 Da
  • ChemSpider ID2308725

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2R)-2-[(5α,18R)-3-Butoxy-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-4-phenyl-2-butanol [ACD/IUPAC Name]
(2R)-2-[(5α,18R)-3-Butoxy-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-4-phenyl-2-butanol [German] [ACD/IUPAC Name]
(2R)-2-[(5α,18R)-3-Butoxy-6-méthoxy-17-méthyl-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-18-yl]-4-phényl-2-butanol [French] [ACD/IUPAC Name]
Benzenepropanol, α-[(5α,18R)-3-butoxy-7,8-didehydro-4,5-epoxy-18,19-dihydro-6-methoxy-17-methyl-6,14-ethenomorphinan-18-yl]-α-methyl-, (αR)- [ACD/Index Name]
6,14-Ethenomorphinan-7-methanol, 3-butoxy-α,17-dimethyl-4,5-epoxy-6-methoxy-α-(2-phenylethyl)-, (5-α,7-α(R))-
61520-40-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 25.69
ACD/KOC (pH 5.5): 66.66
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1267.55
ACD/KOC (pH 7.4): 3288.82
Polar Surface Area: 51 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 430.3±5.0 cm3

Click to predict properties on the Chemicalize site


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