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Search term: CLIHTSSWAQGPGL-QQYWGXKICL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Diethyl 2,2'-{(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis[imino(1-oxo-2,1-ethanediyl)imino]}bis[4-(methylsulfanyl)butanoate] | C32H40N4O8S2

Diethyl 2,2'-{(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis[imino(1-oxo-2,1-ethanediyl)imino]}bis[4-(methylsulfanyl)butanoate]

  • Molecular FormulaC32H40N4O8S2
  • Average mass672.812 Da
  • Monoisotopic mass672.228760 Da
  • ChemSpider ID3317190

More details:

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

2,2'-{(9,10-Dioxo-9,10-dihydroanthracène-1,4-diyl)bis[imino(1-oxo-2,1-éthanediyl)imino]}bis[4-(méthylsulfanyl)butanoate] de diéthyle [French] [ACD/IUPAC Name]
Diethyl 2,2'-{(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)bis[imino(1-oxo-2,1-ethanediyl)imino]}bis[4-(methylsulfanyl)butanoate] [ACD/IUPAC Name]
Diethyl-2,2'-{(9,10-dioxo-9,10-dihydroanthracen-1,4-diyl)bis[imino(1-oxo-2,1-ethandiyl)imino]}bis[4-(methylsulfanyl)butanoat] [German] [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: 941.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.1±3.0 kJ/mol
Flash Point: 523.0±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 178.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.42
ACD/KOC (pH 5.5): 1771.70
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.59
ACD/KOC (pH 7.4): 1772.97
Polar Surface Area: 220 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 509.6±3.0 cm3

Click to predict properties on the Chemicalize site


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