ChemSpider 2D Image | 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-diol | C30H28O4S4

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-diol

  • Molecular FormulaC30H28O4S4
  • Average mass580.801 Da
  • Monoisotopic mass580.087036 Da
  • ChemSpider ID9494156

More details:

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

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-diol, 26,28-dipropoxy- [ACD/Index Name]
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-diol [German] [ACD/IUPAC Name]
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-diol [ACD/IUPAC Name]
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-diol [French] [ACD/IUPAC 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: 695.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 374.3±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 166.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.47
ACD/LogD (pH 5.5): 7.77
ACD/BCF (pH 5.5): 469378.91
ACD/KOC (pH 5.5): 397579.84
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 189398.34
ACD/KOC (pH 7.4): 160426.81
Polar Surface Area: 160 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 440.9±3.0 cm3

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