ChemSpider 2D Image | 5-(Chlorosulfonyl)-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzenesulfonate | C31H29ClN2O6S2

5-(Chlorosulfonyl)-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzenesulfonate

  • Molecular FormulaC31H29ClN2O6S2
  • Average mass625.155 Da
  • Monoisotopic mass624.115540 Da
  • ChemSpider ID398742

More details:






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

1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-4-ium, 9-[4-(chlorosulfonyl)-2-sulfophenyl]-2,3,6,7,12,13,16,17-octahydro-, inner salt [ACD/Index Name]
5-(Chlorosulfonyl)-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chroméno[2,3-f]quinoléin-4-ium-9-yl)benzènesulfonate [French] [ACD/IUPAC Name]
5-(Chlorosulfonyl)-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzenesulfonate [ACD/IUPAC Name]
5-(Chlorsulfonyl)-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]chinolizino[1',9':6,7,8]chromeno[2,3-f]chinolin-4-ium-9-yl)benzolsulfonat [German] [ACD/IUPAC Name]
[82354-19-6]
1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium, 9-(2,4-disulfophenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt
262-159-4 [EINECS]
5-(Chlorosulfonyl)-2-(1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzenesulfonate
82354-19-6 [RN]
8667894
More...

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

86185_FLUKA [DBID]
AIDS002282 [DBID]
AIDS-002282 [DBID]
CCRIS 4693 [DBID]
S3388_SIGMA [DBID]
SR 101 [DBID]
UN2811 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      DMF (Caution: Do not dissolve in DMSO) Chemodex S0008
      Soluble in DMF. Caution: Do not dissolve in DMSO. Chemodex S0008
      Soluble to 100 mM in ethanol Tocris Bioscience 5442
  • Miscellaneous
    • Appearance:

      Dark brown powder Chemodex S0008
      Dark purple solid Chemodex S0008
      Solid. Chemodex S0008
    • Bio Activity:

      Fluorescent Dyes Tocris Bioscience 5442
      Fluorescent Dyes, Labels and Stains Tocris Bioscience 5442
      Fluorescent Imaging Tocris Bioscience 5442
      Fluorescent reagent for the labeling of amines Tocris Bioscience 5442
      Fluorescent reagent for the labeling of amines. Excitation maximum ~ 588 nm; emission maximum ~ 601 nm. Sulforhodamine 101 (Cat. No. 5146) also available. Tocris Bioscience 5442
      Reagents Tocris Bioscience 5442

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 124 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site





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