ChemSpider 2D Image | BCECF | C27H20O11


  • Molecular FormulaC27H20O11
  • Average mass520.441 Da
  • Monoisotopic mass520.100586 Da
  • ChemSpider ID3450139

More details:

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

2-[2,7-Bis(2-carboxyethyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl]terephthalic acid [ACD/IUPAC Name]
2-[2,7-Bis(2-carboxyethyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl]terephthalsäure [German] [ACD/IUPAC Name]
3H-Xanthene-2,7-dipropanoic acid, 9-(2,5-dicarboxyphenyl)-6-hydroxy-3-oxo- [ACD/Index Name]
85138-49-4 [RN]
Acide 2-[2,7-bis(2-carboxyéthyl)-6-hydroxy-3-oxo-3H-xanthén-9-yl]téréphtalique [French] [ACD/IUPAC Name]
2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid

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

14560_FLUKA [DBID]
  • Miscellaneous
    • Chemical Class:

      A 2',7'-bis-(2-carboxyethyl)carboxyfluorescein compound having a carboxy substituent in the 6-position. ChEBI CHEBI:52691

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 936.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.7±3.0 kJ/mol
Flash Point: 318.3±27.8 °C
Index of Refraction: 1.743
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): -2.01
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: 196 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 103.3±5.0 dyne/cm
Molar Volume: 310.5±5.0 cm3

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