ChemSpider 2D Image | Trimethyl (4E,7R,8S,9Z,11E)-13-(benzoyloxy)-8-hydroxy-5-(methoxymethoxy)-9-methyl-4,9,11-tridecatriene-1,1,7-tricarboxylate | C29H38O11

Trimethyl (4E,7R,8S,9Z,11E)-13-(benzoyloxy)-8-hydroxy-5-(methoxymethoxy)-9-methyl-4,9,11-tridecatriene-1,1,7-tricarboxylate

  • Molecular FormulaC29H38O11
  • Average mass562.605 Da
  • Monoisotopic mass562.241394 Da
  • ChemSpider ID9181433

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4E,7R,8S,9Z,11E)-13-(Benzoyloxy)-8-hydroxy-5-(méthoxyméthoxy)-9-méthyl-4,9,11-tridécatriène-1,1,7-tricarboxylate de triméthyle [French] [ACD/IUPAC Name]
4,9,11-Tridecatriene-1,1,7-tricarboxylic acid, 13-(benzoyloxy)-8-hydroxy-5-(methoxymethoxy)-9-methyl-, trimethyl ester, (4E,7R,8S,9Z,11E)- [ACD/Index Name]
Trimethyl (4E,7R,8S,9Z,11E)-13-(benzoyloxy)-8-hydroxy-5-(methoxymethoxy)-9-methyl-4,9,11-tridecatriene-1,1,7-tricarboxylate [ACD/IUPAC Name]
Trimethyl-(4E,7R,8S,9Z,11E)-13-(benzoyloxy)-8-hydroxy-5-(methoxymethoxy)-9-methyl-4,9,11-tridecatrien-1,1,7-tricarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 201.1±25.0 °C
Index of Refraction: 1.523
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 683.37
ACD/KOC (pH 5.5): 3720.90
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 683.36
ACD/KOC (pH 7.4): 3720.86
Polar Surface Area: 144 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 476.2±3.0 cm3

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