ChemSpider 2D Image | (6E)-N-{4-[(7,13-Dioxo-2,5,8,11-tetraoxatridecan-13-yl)oxy]-3-methoxybenzyl}-8-methyl-6-nonenimidic acid | C27H41NO9

(6E)-N-{4-[(7,13-Dioxo-2,5,8,11-tetraoxatridecan-13-yl)oxy]-3-methoxybenzyl}-8-methyl-6-nonenimidic acid

  • Molecular FormulaC27H41NO9
  • Average mass523.616 Da
  • Monoisotopic mass523.278137 Da
  • ChemSpider ID57305399

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-N-{4-[(7,13-Dioxo-2,5,8,11-tetraoxatridecan-13-yl)oxy]-3-methoxybenzyl}-8-methyl-6-nonenimidic acid [ACD/IUPAC Name]
(6E)-N-{4-[(7,13-Dioxo-2,5,8,11-tetraoxatridecan-13-yl)oxy]-3-methoxybenzyl}-8-methyl-6-nonenimidsäure [German] [ACD/IUPAC Name]
2,5,8,11-Tetraoxatridecan-13-oic acid, 7-oxo-, 4-[[[(6E)-1-hydroxy-8-methyl-6-nonen-1-ylidene]amino]methyl]-2-methoxyphenyl ester [ACD/Index Name]
Acide (6E)-N-{4-[(7,13-dioxo-2,5,8,11-tétraoxatridécan-13-yl)oxy]-3-méthoxybenzyl}-8-méthyl-6-nonénimidique [French] [ACD/IUPAC Name]
2-[2-[2-METHOXY-4-[[[(E)-8-METHYLNON-6-ENOYL]AMINO]METHYL]PHENOXY]-2-OXO-ETHOXY]ETHYL-2-(2-METHOXYETHOXY)ACETATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 636.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.0±34.3 °C
Index of Refraction: 1.497
Molar Refractivity: 137.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 36.37
ACD/KOC (pH 5.5): 206.09
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 37.74
ACD/KOC (pH 7.4): 213.88
Polar Surface Area: 122 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 470.2±7.0 cm3

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