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

(2R)-2-[(5α,18R)-6-Methoxy-17-methyl-3-(2-phenylethoxy)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-2-hexanol

  • Molecular FormulaC34H43NO4
  • Average mass529.709 Da
  • Monoisotopic mass529.319214 Da
  • ChemSpider ID2308729

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2R)-2-[(5α,18R)-6-Methoxy-17-methyl-3-(2-phenylethoxy)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-2-hexanol [ACD/IUPAC Name]
(2R)-2-[(5α,18R)-6-Methoxy-17-methyl-3-(2-phenylethoxy)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-2-hexanol [German] [ACD/IUPAC Name]
(2R)-2-[(5α,18R)-6-Méthoxy-17-méthyl-3-(2-phényléthoxy)-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-18-yl]-2-hexanol [French] [ACD/IUPAC Name]
2-Hexanol, 2-[(5α,18R)-7,8-didehydro-4,5-epoxy-18,19-dihydro-6-methoxy-17-methyl-3-(2-phenylethoxy)-6,14-ethenomorphinan-18-yl]-, (2R)- [ACD/Index Name]
6,14-Ethenomorphinan-7-methanol, α-butyl-α,17-dimethyl-4,5-epoxy-6-methoxy-3-(2-phenylethoxy)-, (5-α,7-α(R))-
6,14-ETHENOMORPHINAN-7-METHANOL,A-BUTYL-4,5-EPOXY-6-METHOXY-A,17-DIMETHYL-3-(2-PHENYLETHOXY)-,[5A,7A(R)]- (9CI)
61520-44-3 [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: 5.40
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 30.02
ACD/KOC (pH 5.5): 73.96
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 1472.46
ACD/KOC (pH 7.4): 3627.84
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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