ChemSpider 2D Image | (2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-17-Ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-19-[(2S)-3,3,4-trimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2,10,12,16,18-nonadecapentaenoic acid | C35H52O7

(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-17-Ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-19-[(2S)-3,3,4-trimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2,10,12,16,18-nonadecapentaenoic acid

  • Molecular FormulaC35H52O7
  • Average mass584.783 Da
  • Monoisotopic mass584.371277 Da
  • ChemSpider ID9817498

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-17-Ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-19-[(2S)-3,3,4-trimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2,10,12,16,18-nonadecapentaenoic acid [ACD/IUPAC Name]
(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-17-Ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-19-[(2S)-3,3,4-trimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2,10,12,16,18-nonadecapentaensäure [German] [ACD/IUPAC Name]
(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-19-[(2S)-3,3,4-trimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]nonadeca-2,10,12,16,18-pentaenoic acid
2,10,12,16,18-Nonadecapentaenoic acid, 19-[(2S)-3,6-dihydro-3,3,4-trimethyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-, (2E,5S,6R,7S,9S,10E,12E,15R,16Z,18 E)- [ACD/Index Name]
2,10,12,16,18-nonadecapentaenoic acid, 19-[(2S)-3,6-dihydro-3,3,4-trimethyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-, (2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-
Acide (2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-17-éthyl-6-hydroxy-9-(hydroxyméthyl)-3,5,7,11,15-pentaméthyl-8-oxo-19-[(2S)-3,3,4-triméthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-2,10,12,16,18-nonadécapentaénoïq ue [French] [ACD/IUPAC Name]
(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-19-((S)-3,3,4-trimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)nonadeca-2,10,12,16,18-pentaenoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 765.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 233.6±26.4 °C
Index of Refraction: 1.543
Molar Refractivity: 169.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 1602.80
ACD/KOC (pH 5.5): 4725.28
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 28.57
ACD/KOC (pH 7.4): 84.24
Polar Surface Area: 121 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 538.2±3.0 cm3

Click to predict properties on the Chemicalize site


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