ChemSpider 2D Image | 5-({4-Chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-2,7-naphthalenedisulfonic acid | C27H22ClN7O16S5

5-({4-Chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-2,7-naphthalenedisulfonic acid

  • Molecular FormulaC27H22ClN7O16S5
  • Average mass896.279 Da
  • Monoisotopic mass894.941528 Da
  • ChemSpider ID23352816

More details:

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

2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]- [ACD/Index Name]
5-({4-Chlor-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-2,7-naphthalindisulfonsäure [German] [ACD/IUPAC Name]
5-({4-Chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-2,7-naphthalenedisulfonic acid [ACD/IUPAC Name]
5-({4-Chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonic acid
Acide 5-({4-chloro-6-[(3-sulfophényl)amino]-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(4-{[2-(sulfooxy)éthyl]sulfonyl}phényl)diazényl]-2,7-naphtalènedisulfonique [French] [ACD/IUPAC Name]
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-
72987-39-4 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.790
Molar Refractivity: 194.6±0.5 cm3
#H bond acceptors: 23
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.11
ACD/LogD (pH 5.5): -10.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 410 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 97.4±7.0 dyne/cm
Molar Volume: 459.4±7.0 cm3

Click to predict properties on the Chemicalize site


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