ChemSpider 2D Image | 2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methyleneammonio)]tetraacetate | C30H24N2O13

2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methyleneammonio)]tetraacetate

  • Molecular FormulaC30H24N2O13
  • Average mass620.518 Da
  • Monoisotopic mass620.128906 Da
  • ChemSpider ID5473974

  • Charge - Charge

More details:

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

2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylenammonio)]tetraacetat [German] [ACD/IUPAC Name]
2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methyleneammonio)]tetraacetate [ACD/IUPAC Name]
2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(méthylèneammonio)]tetraacétate [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-dimethanaminium, N2',N2',N7',N7'-tetrakis(carboxymethyl)-3',6'-dihydroxy-3-oxo-, bis(inner salt), ion(2-) [ACD/Index Name]
336616-50-3 [RN]

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

ZINC04217203 [DBID]

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

Density:
Boiling Point: 952.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.3±3.0 kJ/mol
Flash Point: 530.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability:
Surface Tension:
Molar Volume:

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