ChemSpider 2D Image | 5-[2-(2-Carboxyethyl)-3-{[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}phenoxy]pentanoic acid | C27H34O7

5-[2-(2-Carboxyethyl)-3-{[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}phenoxy]pentanoic acid

  • Molecular FormulaC27H34O7
  • Average mass470.555 Da
  • Monoisotopic mass470.230438 Da
  • ChemSpider ID24995701

More details:

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

5-[2-(2-Carboxyethyl)-3-{[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}phenoxy]pentanoic acid [ACD/IUPAC Name]
5-[2-(2-Carboxyethyl)-3-{[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}phenoxy]pentansäure [German] [ACD/IUPAC Name]
Acide 5-[2-(2-carboxyéthyl)-3-{[(5E)-6-(4-méthoxyphényl)-5-hexén-1-yl]oxy}phénoxy]pentanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-(4-carboxybutoxy)-6-[[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy]- [ACD/Index Name]
134578-96-4 [RN]
5-[2-(2-Carboxyethyl)-3-[6-(4-methoxyphenyl)hex-5-enoxy]phenoxy]pentanoic acid
ONO-4057
ONO-LB 457

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 233.1±26.4 °C
Index of Refraction: 1.570
Molar Refractivity: 131.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 94.66
ACD/KOC (pH 5.5): 305.49
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 400.9±3.0 cm3

Click to predict properties on the Chemicalize site


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