Found 386 results

Search term: MF = 'C_{30}H_{39}NO_{6}'
ChemSpider 2D Image | methyl 2-({[(5alpha,7alpha)-7-(2-hydroxypentan-2-yl)-6-methoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan-3-yl]oxy}methyl)prop-2-enoate | C30H39NO6

methyl 2-({[(5α,7α)-7-(2-hydroxypentan-2-yl)-6-methoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan-3-yl]oxy}methyl)prop-2-enoate

  • Molecular FormulaC30H39NO6
  • Average mass509.634 Da
  • Monoisotopic mass509.277740 Da
  • ChemSpider ID8521678

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-[({(5α,6β,14β,18R)-18-[(2R)-2-Hydroxy-2-pentanyl]-6-méthoxy-17-méthyl-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-yl}oxy)méthyl]acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-[[[(5α,6β,14β,18R)-7,8-didehydro-4,5-epoxy-18,19-dihydro-18-[(1R)-1-hydroxy-1-methylbutyl]-6-methoxy-17-methyl-6,14-ethenomorphinan-3-yl]oxy]methyl]-, methyl ester [ACD/Index Name]
2-propenoic acid, 2-[[[(5α,7α)-4,5-epoxy-7-(1-hydroxy-1-methylbutyl)-6-methoxy-17-methyl-6,14-ethenomorphinan-3-yl]oxy]methyl]-, methyl ester
methyl 2-({[(5α,7α)-7-(2-hydroxypentan-2-yl)-6-methoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan-3-yl]oxy}methyl)prop-2-enoate
Methyl 2-[({(5α,6β,14β,18R)-18-[(2R)-2-hydroxy-2-pentanyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl}oxy)methyl]acrylate [ACD/IUPAC Name]
Methyl-2-[({(5α,6β,14β,18R)-18-[(2R)-2-hydroxy-2-pentanyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl}oxy)methyl]acrylat [German] [ACD/IUPAC Name]
methyl 2-[19-(1-hydroxy-1-methylbutyl)-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10,16-tetraen-11-yloxymethyl]acrylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 333.3±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 13.08
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 129.92
ACD/KOC (pH 7.4): 647.02
Polar Surface Area: 77 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 402.1±5.0 cm3

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