ChemSpider 2D Image | (2E,6E,11E,13E)-18-(2,6-Dioxo-4-piperidinyl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxo-2,6,11,13-octadecatetraenoic acid | C27H39NO7

(2E,6E,11E,13E)-18-(2,6-Dioxo-4-piperidinyl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxo-2,6,11,13-octadecatetraenoic acid

  • Molecular FormulaC27H39NO7
  • Average mass489.601 Da
  • Monoisotopic mass489.272644 Da
  • ChemSpider ID22912746

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E,11E,13E)-18-(2,6-Dioxo-4-piperidinyl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxo-2,6,11,13-octadecatetraenoic acid [ACD/IUPAC Name]
(2E,6E,11E,13E)-18-(2,6-Dioxo-4-piperidinyl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxo-2,6,11,13-octadecatetraensäure [German] [ACD/IUPAC Name]
2,6,11,13-Octadecatetraenoic acid, 18-(2,6-dioxo-4-piperidinyl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxo-, (2E,6E,11E,13E)- [ACD/Index Name]
Acide (2E,6E,11E,13E)-18-(2,6-dioxo-4-pipéridinyl)-9-hydroxy-8-méthoxy-10,12,14-triméthyl-15-oxo-2,6,11,13-octadécatétraénoïque [French] [ACD/IUPAC Name]
(2E,6E,11E,13E)-18-(2,6-dioxopiperidin-4-yl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11,13-tetraenoic acid
Compound NP-012815

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

Density: 1.1±0.1 g/cm3
Boiling Point: 718.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.9±6.0 kJ/mol
Flash Point: 388.3±32.9 °C
Index of Refraction: 1.526
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 13.14
ACD/KOC (pH 5.5): 124.66
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.97
Polar Surface Area: 130 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 434.0±3.0 cm3

Click to predict properties on the Chemicalize site


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