ChemSpider 2D Image | 4-Methyl-3-{[(3-{[{[3-({2-methyl-5-[(4,6,8-trisulfonato-1-naphthyl)carboximidato]phenyl}carboximidato)phenyl]amino}(oxido)methylene]amino}phenyl)(oxidanidyl)methylene]amino}-N-(4,6,8-trisulfonato-1-na phthyl)benzenecarboximidate | C51H29N6O23S6

4-Methyl-3-{[(3-{[{[3-({2-methyl-5-[(4,6,8-trisulfonato-1-naphthyl)carboximidato]phenyl}carboximidato)phenyl]amino}(oxido)methylene]amino}phenyl)(oxidanidyl)methylene]amino}-N-(4,6,8-trisulfonato-1-na phthyl)benzenecarboximidate

  • Molecular FormulaC51H29N6O23S6
  • Average mass1286.198 Da
  • Monoisotopic mass1284.966919 Da
  • ChemSpider ID21241000

  • Charge - Charge

More details:

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

1,3,5-Naphthalenetrisulfonato[, 8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-11-], ion(11-) [ACD/Index Name]
4-Methyl-3-{[(3-{[{[3-({2-methyl-5-[(4,6,8-trisulfonato-1-naphthyl)carboximidato]phenyl}carboximidato)phenyl]amino}(oxido)methylene]amino}phenyl)(oxidanidyl)methylene]amino}-N-(4,6,8-trisulfonato-1-na phthyl)benzenecarboximidate [ACD/IUPAC Name]
4-Méthyl-3-{[(3-{[{[3-({2-méthyl-5-[(4,6,8-trisulfonato-1-naphtyl)carboximidato]phényl}carboximidato)phényl]amino}(oxydo)méthylène]amino}phényl)(oxydanidyl)méthylène]amino}-N-(4,6,8-trisulfonato-1-nap htyl)benzènecarboximidate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 29
#H bond donors: 12
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 4.40
ACD/LogD (pH 5.5): -10.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 583 Å2
Polarizability:
Surface Tension:
Molar Volume:

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