ChemSpider 2D Image | 4-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-ylcarbamoyl)octadecanoic acid | C33H55NO8

4-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-ylcarbamoyl)octadecanoic acid

  • Molecular FormulaC33H55NO8
  • Average mass593.792 Da
  • Monoisotopic mass593.392761 Da
  • ChemSpider ID7984427

More details:

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

4-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-ylcarbamoyl)octadecanoic acid [ACD/IUPAC Name]
4-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-ylcarbamoyl)octadecansäure [German] [ACD/IUPAC Name]
Acide 4-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadécin-15-ylcarbamoyl)octadécanoïque [French] [ACD/IUPAC Name]
Octadecanoic acid, 4-[[(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)amino]carbonyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 749.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.8±32.9 °C
Index of Refraction: 1.498
Molar Refractivity: 164.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 22456.43
ACD/KOC (pH 5.5): 23450.29
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 353.10
ACD/KOC (pH 7.4): 368.73
Polar Surface Area: 113 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 559.8±3.0 cm3

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