ChemSpider 2D Image | 3-(4-{[(2E)-5-{4-[(3E)-5-{4-[2-(2-Carboxyethoxy)ethyl]phenoxy}-3-penten-1-yn-1-yl]phenyl}-2-penten-4-yn-1-yl]oxy}phenyl)-2-ethoxypropanoic acid | C38H38O8

3-(4-{[(2E)-5-{4-[(3E)-5-{4-[2-(2-Carboxyethoxy)ethyl]phenoxy}-3-penten-1-yn-1-yl]phenyl}-2-penten-4-yn-1-yl]oxy}phenyl)-2-ethoxypropanoic acid

  • Molecular FormulaC38H38O8
  • Average mass622.703 Da
  • Monoisotopic mass622.256653 Da
  • ChemSpider ID8343546

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(4-{[(2E)-5-{4-[(3E)-5-{4-[2-(2-Carboxyethoxy)ethyl]phenoxy}-3-penten-1-in-1-yl]phenyl}-2-penten-4-in-1-yl]oxy}phenyl)-2-ethoxypropansäure [German] [ACD/IUPAC Name]
3-(4-{[(2E)-5-{4-[(3E)-5-{4-[2-(2-Carboxyethoxy)ethyl]phenoxy}-3-penten-1-yn-1-yl]phenyl}-2-penten-4-yn-1-yl]oxy}phenyl)-2-ethoxypropanoic acid [ACD/IUPAC Name]
Acide 3-(4-{[(2E)-5-{4-[(3E)-5-{4-[2-(2-carboxyéthoxy)éthyl]phénoxy}-3-pentén-1-yn-1-yl]phényl}-2-pentén-4-yn-1-yl]oxy}phényl)-2-éthoxypropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[[(2E)-5-[4-[(3E)-5-[4-[2-(2-carboxyethoxy)ethyl]phenoxy]-3-penten-1-yn-1-yl]phenyl]-2-penten-4-yn-1-yl]oxy]-α-ethoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 817.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.5±3.0 kJ/mol
Flash Point: 253.2±27.8 °C
Index of Refraction: 1.620
Molar Refractivity: 174.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 95.14
ACD/KOC (pH 5.5): 118.14
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 2.78
Polar Surface Area: 112 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 497.7±5.0 cm3

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