ChemSpider 2D Image | 2-(2-{[(2E)-(5-Amino-6-oxo-3-sulfo-2,4-cyclohexadien-1-ylidene)hydrazono](phenyl)methyl}hydrazino)-4-sulfobenzoic acid | C20H17N5O9S2

2-(2-{[(2E)-(5-Amino-6-oxo-3-sulfo-2,4-cyclohexadien-1-ylidene)hydrazono](phenyl)methyl}hydrazino)-4-sulfobenzoic acid

  • Molecular FormulaC20H17N5O9S2
  • Average mass535.507 Da
  • Monoisotopic mass535.046753 Da
  • ChemSpider ID9528804

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(2-{[(2E)-(5-Amino-6-oxo-3-sulfo-2,4-cyclohexadien-1-yliden)hydrazono](phenyl)methyl}hydrazino)-4-sulfobenzoesäure [German] [ACD/IUPAC Name]
2-(2-{[(2E)-(5-Amino-6-oxo-3-sulfo-2,4-cyclohexadien-1-ylidene)hydrazono](phenyl)methyl}hydrazino)-4-sulfobenzoic acid [ACD/IUPAC Name]
Acide 2-(2-{[(2E)-(5-amino-6-oxo-3-sulfo-2,4-cyclohexadién-1-ylidène)hydrazono](phényl)méthyl}hydrazino)-4-sulfobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-[[(2E)-2-(5-amino-6-oxo-3-sulfo-2,4-cyclohexadien-1-ylidene)hydrazinylidene]phenylmethyl]hydrazinyl]-4-sulfo- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -5.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 82.9±7.0 dyne/cm
Molar Volume: 311.1±7.0 cm3

Click to predict properties on the Chemicalize site


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