ChemSpider 2D Image | (5alpha,6beta,14beta,18R)-18-[(2R)-2-Hydroxy-5-methyl-2-hexanyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C27H37NO4

(5α,6β,14β,18R)-18-[(2R)-2-Hydroxy-5-methyl-2-hexanyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC27H37NO4
  • Average mass439.587 Da
  • Monoisotopic mass439.272247 Da
  • ChemSpider ID115284754

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,6β,14β,18R)-18-[(2R)-2-Hydroxy-5-methyl-2-hexanyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,6β,14β,18R)-18-[(2R)-2-Hydroxy-5-methyl-2-hexanyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,6β,14β,18R)-18-[(2R)-2-Hydroxy-5-méthyl-2-hexanyl]-6-méthoxy-17-méthyl-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 7,8-didehydro-4,5-epoxy-18,19-dihydro-18-[(1R)-1-hydroxy-1,4-dimethylpentyl]-6-methoxy-17-methyl-, (5α,6β,14β,18R)- [ACD/Index Name]
(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-5-methylhexan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
14186-98-2 [RN]
49685-90-7 [RN]
6,14-endo-Ethenotetrahydrooripavine, 7α-(1-hydroxy-1,4-dimethylpentyl)-

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

M 140 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.8±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 2.48
ACD/KOC (pH 5.5): 14.35
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 126.14
ACD/KOC (pH 7.4): 729.85
Polar Surface Area: 62 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 347.8±5.0 cm3

Click to predict properties on the Chemicalize site


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