ChemSpider 2D Image | 8'-(Acetoxymethyl)-2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-4'-carboxylic acid | C30H24O13

8'-(Acetoxymethyl)-2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-4'-carboxylic acid

  • Molecular FormulaC30H24O13
  • Average mass592.504 Da
  • Monoisotopic mass592.121704 Da
  • ChemSpider ID67496949

More details:

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

8'-(Acetoxymethyl)-2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-4'-carbonsäure [German] [ACD/IUPAC Name]
8'-(Acetoxymethyl)-2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-4'-carboxylic acid [ACD/IUPAC Name]
Acide 8'-(acétoxyméthyl)-2',7'-bis(2-carboxyéthyl)-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-4'-carboxylique [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-dipropanoic acid, 1'-[(acetyloxy)methyl]-5'-carboxy-3',6'-dihydroxy-3-oxo- [ACD/Index Name]
2,7-bis-(2-carboxyethyl)-5-carboxyfluorescein acetoxymethyl ester

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

Density: 1.7±0.1 g/cm3
Boiling Point: 859.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.9±3.0 kJ/mol
Flash Point: 284.0±27.8 °C
Index of Refraction: 1.735
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -1.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 105.0±5.0 dyne/cm
Molar Volume: 351.5±5.0 cm3

Click to predict properties on the Chemicalize site


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