ChemSpider 2D Image | 2-(4,5-Bis{[bis(carboxymethyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid | C30H26N2O13

2-(4,5-Bis{[bis(carboxymethyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

  • Molecular FormulaC30H26N2O13
  • Average mass622.533 Da
  • Monoisotopic mass622.143494 Da
  • ChemSpider ID3816675

More details:

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

2-(4,5-Bis{[bis(carboxymethyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
2-(4,5-Bis{[bis(carboxymethyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid [ACD/IUPAC Name]
Acide 2-(4,5-bis{[bis(carboxyméthyl)amino]méthyl}-6-hydroxy-3-oxo-3H-xanthén-9-yl)benzoïque [French] [ACD/IUPAC 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: 1014.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.1±3.0 kJ/mol
Flash Point: 567.0±34.3 °C
Index of Refraction: 1.750
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 240 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 111.2±5.0 dyne/cm
Molar Volume: 365.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement