ChemSpider 2D Image | 26,27-Dihydroxy-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-dodecaen-25-yl trifluorome thanesulfonate | C41H47F3O5S5

26,27-Dihydroxy-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-yl trifluorome thanesulfonate

  • Molecular FormulaC41H47F3O5S5
  • Average mass837.129 Da
  • Monoisotopic mass836.197937 Da
  • ChemSpider ID30652911

More details:

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

26,27-Dihydroxy-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-yl trifluorome thanesulfonate [ACD/IUPAC Name]
26,27-Dihydroxy-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-yl-trifluormet hansulfonat [German] [ACD/IUPAC Name]
Methanesulfonic acid, 1,1,1-trifluoro-, 5,11,17,23-tetrakis(1,1-dimethylethyl)-26,27-dihydroxy-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),15,17,1 9(26),21,23-dodecaen-25-yl ester [ACD/Index Name]
Trifluorométhanesulfonate de 26,27-dihydroxy-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-dodécaén-25-yle [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: 774.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 422.1±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 223.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 14.82
ACD/LogD (pH 5.5): 13.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 193 Å2
Polarizability: 88.6±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 655.1±3.0 cm3

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