ChemSpider 2D Image | 2,2'-[(Z)-1,2-Ethenediyl]bis[5-({4-[(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid] | C36H36N12O14S4

2,2'-[(Z)-1,2-Ethenediyl]bis[5-({4-[(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]

  • Molecular FormulaC36H36N12O14S4
  • Average mass989.003 Da
  • Monoisotopic mass988.135681 Da
  • ChemSpider ID95759013

  • Double-bond stereo - Double-bond stereo

More details:

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

2,2'-[(Z)-1,2-Ethendiyl]bis[5-({4-[(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzolsulfonsäure] [German] [ACD/IUPAC Name]
2,2'-[(Z)-1,2-Ethenediyl]bis[5-({4-[(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid] [ACD/IUPAC Name]
Acide 2,2'-[(Z)-1,2-éthènediyl]bis[5-({4-[(2-hydroxyéthyl)amino]-6-[(3-sulfophényl)amino]-1,3,5-triazin-2-yl}amino)benzènesulfonique] [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2,2'-[(Z)-1,2-ethenediyl]bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]

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: 1.774
Molar Refractivity: 231.1±0.4 cm3
#H bond acceptors: 26
#H bond donors: 12
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -4.93
ACD/LogD (pH 5.5): -11.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 441 Å2
Polarizability: 91.6±0.5 10-24cm3
Surface Tension: 123.3±3.0 dyne/cm
Molar Volume: 554.2±3.0 cm3

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