ChemSpider 2D Image | 2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylenenitrilo)]tetraacetic acid | C30H26N2O13

2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylenenitrilo)]tetraacetic acid

  • Molecular FormulaC30H26N2O13
  • Average mass622.533 Da
  • Monoisotopic mass622.143494 Da
  • ChemSpider ID3527027

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]-4',5'-diyl)bis(methylenenitrilo)]tetraacetic acid [ACD/IUPAC Name]
2,2',2'',2'''-[(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylennitrilo)]tetraessigsäure [German] [ACD/IUPAC Name]
207124-64-9 [RN]
Acide 2,2',2'',2'''-[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-4',5'-diyl)bis(méthylènenitrilo)]tetraacétique [French] [ACD/IUPAC Name]
[(5'-{[bis(carboxymethyl)amino]methyl}-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthen]-4'-ylmethyl)(carboxymethyl)amino]acetic acid
[(5'-{[BIS(CARBOXYMETHYL)AMINO]METHYL}-3',6'-DIHYDROXY-3-OXOSPIRO[2-BENZOFURAN-1,9'-XANTHENE]-4'-YLMETHYL)(CARBOXYMETHYL)AMINO]ACETIC ACID
2,2',2'',2'''-(((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(azanetriyl))tetraacetic acid
2-[[5'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]methyl-(carboxymethyl)amino]acetic acid
2-{[(5'-{[bis(carboxymethyl)amino]methyl}-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-4'-yl)methyl](carboxymethyl)amino}acetic acid
2-{[(5'-{[BIS(CARBOXYMETHYL)AMINO]METHYL}-3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-4'-YL)METHYL](CARBOXYMETHYL)AMINO}ACETIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 959.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.3±3.0 kJ/mol
Flash Point: 533.8±34.3 °C
Index of Refraction: 1.775
Molar Refractivity: 148.7±0.4 cm3
#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): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 119.8±5.0 dyne/cm
Molar Volume: 356.1±5.0 cm3

Click to predict properties on the Chemicalize site


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