ChemSpider 2D Image | 3-Hydroxy-4-[(E)-{2-sulfonato-4-[(E)-(4-sulfonatophenyl)diazenyl]phenyl}diazenyl]-2,7-naphthalenedisulfonate | C22H12N4O13S4

3-Hydroxy-4-[(E)-{2-sulfonato-4-[(E)-(4-sulfonatophenyl)diazenyl]phenyl}diazenyl]-2,7-naphthalenedisulfonate

  • Molecular FormulaC22H12N4O13S4
  • Average mass668.612 Da
  • Monoisotopic mass667.930542 Da
  • ChemSpider ID58164039
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(E)-2-[2-sulfo-4-[(E)-2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, ion(4-) [ACD/Index Name]
3-Hydroxy-4-[(E)-{2-sulfonato-4-[(E)-(4-sulfonatophényl)diazényl]phényl}diazényl]-2,7-naphtalènedisulfonate [French] [ACD/IUPAC Name]
3-Hydroxy-4-[(E)-{2-sulfonato-4-[(E)-(4-sulfonatophenyl)diazenyl]phenyl}diazenyl]-2,7-naphthalenedisulfonate [ACD/IUPAC Name]
3-Hydroxy-4-[(E)-{2-sulfonato-4-[(E)-(4-sulfonatophenyl)diazenyl]phenyl}diazenyl]-2,7-naphthalindisulfonat [German] [ACD/IUPAC Name]
3-hydroxy-4-({2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl}diazenyl)naphthalene-2,7-disulfonate
Ponceau S tetraanion
Ponceau S(4-)
  • Miscellaneous

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: 17
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -8.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 332 Å2
Polarizability:
Surface Tension:
Molar Volume:

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