ChemSpider 2D Image | (6Z)-6-({4-[(E)-2-{4-[(2E)-2-(2-Carboxy-6-hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)hydrazino]-2-sulfophenyl}vinyl]-3-sulfophenyl}hydrazono)-5-hydroxy-3-oxo-1,4-cyclohexadiene-1-carboxylic acid | C28H20N4O14S2

(6Z)-6-({4-[(E)-2-{4-[(2E)-2-(2-Carboxy-6-hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)hydrazino]-2-sulfophenyl}vinyl]-3-sulfophenyl}hydrazono)-5-hydroxy-3-oxo-1,4-cyclohexadiene-1-carboxylic acid

  • Molecular FormulaC28H20N4O14S2
  • Average mass700.607 Da
  • Monoisotopic mass700.041748 Da
  • ChemSpider ID4976401

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-({4-[(E)-2-{4-[(2E)-2-(2-Carboxy-6-hydroxy-4-oxo-2,5-cyclohexadien-1-yliden)hydrazino]-2-sulfophenyl}vinyl]-3-sulfophenyl}hydrazono)-5-hydroxy-3-oxo-1,4-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
(6Z)-6-({4-[(E)-2-{4-[(2E)-2-(2-Carboxy-6-hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)hydrazino]-2-sulfophenyl}vinyl]-3-sulfophenyl}hydrazono)-5-hydroxy-3-oxo-1,4-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
1,4-Cyclohexadiene-1-carboxylic acid, 6-[2-[4-[(E)-2-[4-[(2E)-2-(2-carboxy-6-hydroxy-4-oxo-2,5-cyclohexadien-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]-5-hydroxy-3-oxo -, (6Z)- [ACD/Index Name]
Acide (6Z)-6-({4-[(E)-2-{4-[(2E)-2-(2-carboxy-6-hydroxy-4-oxo-2,5-cyclohexadién-1-ylidène)hydrazino]-2-sulfophényl}vinyl]-3-sulfophényl}hydrazono)-5-hydroxy-3-oxo-1,4-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]
Benzoic acid, 2,2'-[(1E)-1,2-ethenediylbis[(1E)-(3-sulfo-4,1-phenylene)azo]]bis[3,5-dihydroxy-

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

AIDS032074 [DBID]
AIDS-032074 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.742
Molar Refractivity: 161.6±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -8.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 323 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 84.8±7.0 dyne/cm
Molar Volume: 400.2±7.0 cm3

Click to predict properties on the Chemicalize site


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