ChemSpider 2D Image | (4E,7R)-N-{(2R)-2-[(1R,6S)-6-Hydroxy-3-methyl-2-oxo-3-cyclohexen-1-yl]-2-methoxyethyl}-7-methoxy-4-dodecenamide | C23H39NO5

(4E,7R)-N-{(2R)-2-[(1R,6S)-6-Hydroxy-3-methyl-2-oxo-3-cyclohexen-1-yl]-2-methoxyethyl}-7-methoxy-4-dodecenamide

  • Molecular FormulaC23H39NO5
  • Average mass409.560 Da
  • Monoisotopic mass409.282837 Da
  • ChemSpider ID78439989

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4E,7R)-N-{(2R)-2-[(1R,6S)-6-Hydroxy-3-methyl-2-oxo-3-cyclohexen-1-yl]-2-methoxyethyl}-7-methoxy-4-dodecenamid [German] [ACD/IUPAC Name]
(4E,7R)-N-{(2R)-2-[(1R,6S)-6-Hydroxy-3-methyl-2-oxo-3-cyclohexen-1-yl]-2-methoxyethyl}-7-methoxy-4-dodecenamide [ACD/IUPAC Name]
(4E,7R)-N-{(2R)-2-[(1R,6S)-6-Hydroxy-3-méthyl-2-oxo-3-cyclohexén-1-yl]-2-méthoxyéthyl}-7-méthoxy-4-dodécénamide [French] [ACD/IUPAC Name]
4-Dodecenamide, N-[(2R)-2-[(1R,6S)-6-hydroxy-3-methyl-2-oxo-3-cyclohexen-1-yl]-2-methoxyethyl]-7-methoxy-, (4E,7R)- [ACD/Index Name]
malyngamide V

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

Density: 1.0±0.1 g/cm3
Boiling Point: 590.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.1±6.0 kJ/mol
Flash Point: 310.8±30.1 °C
Index of Refraction: 1.500
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 130.02
ACD/KOC (pH 5.5): 1134.52
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 130.02
ACD/KOC (pH 7.4): 1134.52
Polar Surface Area: 85 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 390.6±3.0 cm3

Click to predict properties on the Chemicalize site


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