ChemSpider 2D Image | 26,28-Dimethoxy-5,11,17,23-tetrakis(2-methyl-2-propanyl)-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 | C42H52O4S4

26,28-Dimethoxy-5,11,17,23-tetrakis(2-methyl-2-propanyl)-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 FormulaC42H52O4S4
  • Average mass749.120 Da
  • Monoisotopic mass748.274841 Da
  • ChemSpider ID9552585

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, 5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy- [ACD/Index Name]
26,28-Dimethoxy-5,11,17,23-tetrakis(2-methyl-2-propanyl)-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-Dimethoxy-5,11,17,23-tetrakis(2-methyl-2-propanyl)-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-Diméthoxy-5,11,17,23-tétrakis(2-méthyl-2-propanyl)-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: 1.2±0.1 g/cm3
Boiling Point: 764.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 221.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 14.10
ACD/LogD (pH 5.5): 12.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 160 Å2
Polarizability: 87.9±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 641.6±3.0 cm3

Click to predict properties on the Chemicalize site


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