ChemSpider 2D Image | Triethyl 2,2',2''-{[28-hydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27-triyl]tris(oxy)}triacetate | C40H42O10

Triethyl 2,2',2''-{[28-hydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27-triyl]tris(oxy)}triacetate

  • Molecular FormulaC40H42O10
  • Average mass682.755 Da
  • Monoisotopic mass682.277771 Da
  • ChemSpider ID21148022

More details:

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

2,2',2''-{[28-Hydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène-25,26,27-triyl]tris(oxy)}triacétate de triéthyle [French] [ACD/IUPAC Name]
Acetic acid, 2,2',2''-[[28-hydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27-triyl]tris(oxy)]tris-, triethyl ester [ACD/Index Name]
Triethyl 2,2',2''-{[28-hydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27-triyl]tris(oxy)}triacetate [ACD/IUPAC Name]
Triethyl-2,2',2''-{[28-hydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25,26,27-triyl]tris(oxy)}triacetat [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: 795.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 241.2±26.4 °C
Index of Refraction: 1.576
Molar Refractivity: 185.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 65056.05
ACD/KOC (pH 5.5): 97035.23
ACD/LogD (pH 7.4): 6.64
ACD/BCF (pH 7.4): 64928.75
ACD/KOC (pH 7.4): 96845.34
Polar Surface Area: 127 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 561.6±3.0 cm3

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