ChemSpider 2D Image | 3,3'-{6-[(Acetoxymethoxy)carbonyl]-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl}dipropanoic acid | C30H24O13

3,3'-{6-[(Acetoxymethoxy)carbonyl]-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl}dipropanoic acid

  • Molecular FormulaC30H24O13
  • Average mass592.504 Da
  • Monoisotopic mass592.121704 Da
  • ChemSpider ID8457478

More details:

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

3,3'-{6-[(Acetoxymethoxy)carbonyl]-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl}dipropanoic acid [ACD/IUPAC Name]
3,3'-{6-[(Acetoxymethoxy)carbonyl]-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl}dipropansäure [German] [ACD/IUPAC Name]
Acide 3,3'-{6-[(acétoxyméthoxy)carbonyl]-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl}dipropanoïque [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylic acid, 2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxo-, 6-[(acetyloxy)methyl] ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 906.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.0±3.0 kJ/mol
Flash Point: 300.0±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.93
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 96.5±5.0 dyne/cm
Molar Volume: 360.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement