ChemSpider 2D Image | 18,24-Bis[(4-methylphenyl)sulfonyl]-5,6,8,9,11,12,17,18,19,20,22,23,24,25-tetradecahydrobisthieno[3,2-k:2',3'-v][1,4,7,10,17,14,20]pentaoxadiazacyclotricosine | C34H42N2O9S4

18,24-Bis[(4-methylphenyl)sulfonyl]-5,6,8,9,11,12,17,18,19,20,22,23,24,25-tetradecahydrobisthieno[3,2-k:2',3'-v][1,4,7,10,17,14,20]pentaoxadiazacyclotricosine

  • Molecular FormulaC34H42N2O9S4
  • Average mass750.965 Da
  • Monoisotopic mass750.177307 Da
  • ChemSpider ID9084083

More details:

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

18,24-Bis[(4-methylphenyl)sulfonyl]-5,6,8,9,11,12,17,18,19,20,22,23,24,25-tetradecahydrobisthieno[3,2-k:2',3'-v][1,4,7,10,17,14,20]pentaoxadiazacyclotricosin [German] [ACD/IUPAC Name]
18,24-Bis[(4-methylphenyl)sulfonyl]-5,6,8,9,11,12,17,18,19,20,22,23,24,25-tetradecahydrobisthieno[3,2-k:2',3'-v][1,4,7,10,17,14,20]pentaoxadiazacyclotricosine [ACD/IUPAC Name]
18,24-Bis[(4-méthylphényl)sulfonyl]-5,6,8,9,11,12,17,18,19,20,22,23,24,25-tétradécahydrobisthiéno[3,2-k:2',3'-v][1,4,7,10,17,14,20]pentaoxadiazacyclotricosine [French] [ACD/IUPAC Name]
Dithieno[3,2-k:2',3'-v][1,4,7,10,17,14,20]pentaoxadiazacyclotricosine, 5,6,8,9,11,12,17,18,19,20,22,23,24,25-tetradecahydro-18,24-bis[(4-methylphenyl)sulfonyl]- [ACD/Index 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: 881.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 487.1±37.1 °C
Index of Refraction: 1.571
Molar Refractivity: 194.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7051.37
ACD/KOC (pH 5.5): 19778.14
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7051.37
ACD/KOC (pH 7.4): 19778.14
Polar Surface Area: 194 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 591.0±3.0 cm3

Click to predict properties on the Chemicalize site


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