ChemSpider 2D Image | Fluo-4 | C36H30F2N2O13

Fluo-4

  • Molecular FormulaC36H30F2N2O13
  • Average mass736.626 Da
  • Monoisotopic mass736.171570 Da
  • ChemSpider ID21865835

More details:

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

{[2-(2-{2-[Bis(carboxymethyl)amino]-5-(2,7-difluor-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy}ethoxy)-4-methylphenyl](carboxymethyl)amino}essigsäure [German] [ACD/IUPAC Name]
{[2-(2-{2-[Bis(carboxymethyl)amino]-5-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy}ethoxy)-4-methylphenyl](carboxymethyl)amino}acetic acid [ACD/IUPAC Name]
Acide {[2-(2-{2-[bis(carboxyméthyl)amino]-5-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthén-9-yl)phénoxy}éthoxy)-4-méthylphényl](carboxyméthyl)amino}acétique [French] [ACD/IUPAC Name]
Fluo-4

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1026.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.1±3.0 kJ/mol
Flash Point: 574.4±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 175.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.01
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 92.0±5.0 dyne/cm
Molar Volume: 449.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement