ChemSpider 2D Image | 3-({4-[(2,4-Dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydro-1-anthracenyl}amino)-2,4,6-trimethylbenzenesulfonic acid | C31H28N2O8S2

3-({4-[(2,4-Dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydro-1-anthracenyl}amino)-2,4,6-trimethylbenzenesulfonic acid

  • Molecular FormulaC31H28N2O8S2
  • Average mass620.693 Da
  • Monoisotopic mass620.128723 Da
  • ChemSpider ID26328749

More details:

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

3-({4-[(2,4-Dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydro-1-anthracenyl}amino)-2,4,6-trimethylbenzenesulfonic acid [ACD/IUPAC Name]
3-({4-[(2,4-Dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydro-1-anthracenyl}amino)-2,4,6-trimethylbenzolsulfonsäure [German] [ACD/IUPAC Name]
3-({4-[(2,4-Dimethyl-5-Sulfophenyl)amino]-9,10-Dioxo-9,10-Dihydroanthracen-1-Yl}amino)-2,4,6-Trimethylbenzenesulfonic Acid
Acide 3-({4-[(2,4-diméthyl-5-sulfophényl)amino]-9,10-dioxo-9,10-dihydro-1-anthracényl}amino)-2,4,6-triméthylbenzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 3-[[4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethyl- [ACD/Index Name]
QV6 [WLN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 159.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 418.1±3.0 cm3

Click to predict properties on the Chemicalize site


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