ChemSpider 2D Image | 8-[(4-Methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]-3-sulfo-1,5-naphthalenedisulfonate | C51H38N6O23S6

8-[(4-Methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]-3-sulfo-1,5-naphthalenedisulfonate

  • Molecular FormulaC51H38N6O23S6
  • Average mass1295.265 Da
  • Monoisotopic mass1294.032349 Da
  • ChemSpider ID3432912

  • Charge - Charge

More details:

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

1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-, ion(2-) [ACD/Index Name]
8-[(4-Methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]-3-sulfo-1,5-naphthalenedisulfonate [ACD/IUPAC Name]
8-[(4-Methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]-3-sulfo-1,5-naphthalindisulfonat [German] [ACD/IUPAC Name]
8-[(4-Méthyl-3-{[3-({[3-({2-méthyl-5-[(4,6,8-trisulfo-1-naphtyl)carbamoyl]phényl}carbamoyl)phényl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]-3-sulfo-1,5-naphtalènedisulfonate [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: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -12.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 540 Å2
Polarizability:
Surface Tension:
Molar Volume:

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