ChemSpider 2D Image | Dimethyl 2,2'-{[11,23-dibromo-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[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-25,27-diyl]bis(oxy)}diaceta te | C36H34Br2O8S4

Dimethyl 2,2'-{[11,23-dibromo-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[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-25,27-diyl]bis(oxy)}diaceta te

  • Molecular FormulaC36H34Br2O8S4
  • Average mass882.718 Da
  • Monoisotopic mass879.950317 Da
  • ChemSpider ID30657700

More details:

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

2,2'-{[11,23-Dibromo-26,28-dipropoxy-2,8,14,20-tétrathiapentacyclo[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-25,27-diyl]bis(oxy)}diacétate de dim éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2,2'-[[11,23-dibromo-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[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-25,27-diyl]bis(oxy)]bis -, dimethyl ester [ACD/Index Name]
Dimethyl 2,2'-{[11,23-dibromo-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[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-25,27-diyl]bis(oxy)}diaceta
 te [ACD/IUPAC Name]
Dimethyl-2,2'-{[11,23-dibrom-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[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-25,27-diyl]bis(oxy)}diacetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 854.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 470.5±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 213.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.39
ACD/LogD (pH 5.5): 10.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9372494.00
ACD/LogD (pH 7.4): 10.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9372494.00
Polar Surface Area: 191 Å2
Polarizability: 84.7±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 597.4±3.0 cm3

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