ChemSpider 2D Image | 2,2'-[(Z)-1,2-Ethenediyl]bis[5-({4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid] | C40H44N12O16S4

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

  • Molecular FormulaC40H44N12O16S4
  • Average mass1077.108 Da
  • Monoisotopic mass1076.188110 Da
  • ChemSpider ID95622252

  • 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-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzolsulfonsäure] [German] [ACD/IUPAC Name]
2,2'-[(Z)-1,2-Ethenediyl]bis[5-({4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid] [ACD/IUPAC Name]
Acide 2,2'-[(Z)-1,2-éthènediyl]bis[5-({4-[bis(2-hydroxyéthyl)amino]-6-[(4-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-[bis(2-hydroxyethyl)amino]-6-[(4-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: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 253.2±0.4 cm3
#H bond acceptors: 28
#H bond donors: 12
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -4.37
ACD/LogD (pH 5.5): -11.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 464 Å2
Polarizability: 100.4±0.5 10-24cm3
Surface Tension: 117.1±3.0 dyne/cm
Molar Volume: 619.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement