ChemSpider 2D Image | 3,3'-{[(4E)-4-Imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene]methylene}bis(6-aminobenzenesulfonate) | C20H17N3O9S3

3,3'-{[(4E)-4-Imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene]methylene}bis(6-aminobenzenesulfonate)

  • Molecular FormulaC20H17N3O9S3
  • Average mass539.560 Da
  • Monoisotopic mass539.013794 Da
  • ChemSpider ID2558187

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

3,3'-{[(4E)-4-Imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-yliden]methylen}bis(6-aminobenzolsulfonat) [German] [ACD/IUPAC Name]
3,3'-{[(4E)-4-Imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene]methylene}bis(6-aminobenzenesulfonate) [ACD/IUPAC Name]
3,3'-{[(4E)-4-Imino-3-méthyl-5-sulfo-2,5-cyclohexadién-1-ylidène]méthylène}bis(6-aminobenzènesulfonate) [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 3,3'-[[(4E)-4-imino-3-methyl-5-sulfo-2,5-cyclohexadien-1-ylidene]methylene]bis[6-amino-, ion(2-) [ACD/Index 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: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -7.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability:
Surface Tension:
Molar Volume:

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