ChemSpider 2D Image | 5-[(14-Carboxy-3,6,9,12-tetraoxatetradec-1-yl)sulfamoyl]-2-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzenesulfonate | C38H51N3O12S2

5-[(14-Carboxy-3,6,9,12-tetraoxatetradec-1-yl)sulfamoyl]-2-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzenesulfonate

  • Molecular FormulaC38H51N3O12S2
  • Average mass805.954 Da
  • Monoisotopic mass805.291443 Da
  • ChemSpider ID60488451

More details:

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

5-[(14-Carboxy-3,6,9,12-tetraoxatetradec-1-yl)sulfamoyl]-2-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzenesulfonate [ACD/IUPAC Name]
5-[(14-Carboxy-3,6,9,12-tétraoxatétradéc-1-yl)sulfamoyl]-2-[6-(diéthylamino)-3-(diéthyliminio)-3H-xanthén-9-yl]benzènesulfonate [French] [ACD/IUPAC Name]
5-[(14-Carboxy-3,6,9,12-tetraoxatetradec-1-yl)sulfamoyl]-2-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzolsulfonat [German] [ACD/IUPAC Name]
Ethanaminium, N-[9-[4-[[(14-carboxy-3,6,9,12-tetraoxatetradec-1-yl)amino]sulfonyl]-2-sulfophenyl]-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, inner salt [ACD/Index Name]

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 24
#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: 210 Å2
Polarizability:
Surface Tension:
Molar Volume:

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