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

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

  • Molecular FormulaC22H12N4O13S4
  • Average mass668.612 Da
  • Monoisotopic mass667.930542 Da
  • ChemSpider ID5200444
  • 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, 3,4-dihydro-3-oxo-4-[2-[2-sulfo-4-[(E)-2-(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-, ion(4-) [ACD/Index Name]
3-Oxo-4-({2-sulfonato-4-[(E)-(4-sulfonatophényl)diazényl]phényl}hydrazono)-3,4-dihydro-2,7-naphtalènedisulfonate [French] [ACD/IUPAC Name]
3-Oxo-4-({2-sulfonato-4-[(E)-(4-sulfonatophenyl)diazenyl]phenyl}hydrazono)-3,4-dihydro-2,7-naphthalenedisulfonate [ACD/IUPAC Name]
3-Oxo-4-({2-sulfonato-4-[(E)-(4-sulfonatophenyl)diazenyl]phenyl}hydrazono)-3,4-dihydro-2,7-naphthalindisulfonat [German] [ACD/IUPAC Name]

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: 17
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -8.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 329 Å2
Polarizability:
Surface Tension:
Molar Volume:

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