Found 1 result

Search term: MF = 'C_{39}H_{57}N_{3}O_{6}S_{7}'
ChemSpider 2D Image | lissoclibadin 1 | C39H57N3O6S7

lissoclibadin 1

  • Molecular FormulaC39H57N3O6S7
  • Average mass888.341 Da
  • Monoisotopic mass887.229248 Da
  • ChemSpider ID9655134

More details:

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2,2',2''-[1,2,9,10,14,15-Hexamethoxy-3,8,13-tris(methylsulfanyl)tribenzo[c,f,i][1,2,5,8]tetrathiecin-4,7,12-triyl]tris(N,N-dimethylethanamin) [German] [ACD/IUPAC Name]
2,2',2''-[1,2,9,10,14,15-Hexamethoxy-3,8,13-tris(methylsulfanyl)tribenzo[c,f,i][1,2,5,8]tetrathiecine-4,7,12-triyl]tris(N,N-dimethylethanamine) [ACD/IUPAC Name]
2,2',2''-[1,2,9,10,14,15-Hexaméthoxy-3,8,13-tris(méthylsulfanyl)tribenzo[c,f,i][1,2,5,8]tétrathiécine-4,7,12-triyl]tris(N,N-diméthyléthanamine) [French] [ACD/IUPAC Name]
lissoclibadin 1
Tribenzo[c,f,i][1,2,5,8]tetrathiecin-4,7,12-triethanamine, 1,2,9,10,14,15-hexamethoxy-N4,N4,N7,N7,N12,N12-hexamethyl-3,8,13-tris(methylthio)- [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      An organosulfur heterocyclic compound isolated from the ascidian <ital>Lissoclinum badium</ital>. It has been shown to exhibit cytotoxicity against human cancer cell lines. ChEBI CHEBI:66579
      An organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines. ChEBI CHEBI:66579

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

Density: 1.3±0.1 g/cm3
Boiling Point: 829.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 455.7±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 249.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 3.87
ACD/KOC (pH 5.5): 3.26
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 15.49
ACD/KOC (pH 7.4): 13.07
Polar Surface Area: 242 Å2
Polarizability: 98.9±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 673.6±5.0 cm3

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