ChemSpider 2D Image | N-(3',6'-Dihydroxy-2',4',5',7'-tetraiodo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-iodoacetamide | C22H10I5NO6

N-(3',6'-Dihydroxy-2',4',5',7'-tetraiodo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-iodoacetamide

  • Molecular FormulaC22H10I5NO6
  • Average mass1018.840 Da
  • Monoisotopic mass1018.573120 Da
  • ChemSpider ID119589

More details:

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

Acetamide, N-(3',6'-dihydroxy-2',4',5',7'-tetraiodo-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-2-iodo- [ACD/Index Name]
N-(3',6'-Dihydroxy-2',4',5',7'-tetraiod-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-iodacetamid [German] [ACD/IUPAC Name]
N-(3',6'-Dihydroxy-2',4',5',7'-tetraiodo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-iodoacetamide [ACD/IUPAC Name]
N-(3',6'-Dihydroxy-2',4',5',7'-tétraiodo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-2-iodoacétamide [French] [ACD/IUPAC Name]
86583-16-6 [RN]
Acetamide, N-(3',6'-dihydroxy-2',4',5',7'-tetraiodo-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)-2-iodo-
Erythrosine-5'-iodoacetamide
Iodoacetamidoerythrosin
N-{3',6'-DIHYDROXY-2',4',5',7'-TETRAIODO-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-YL}-2-IODOACETAMIDE
N-{3',6'-DIHYDROXY-2',4',5',7'-TETRAIODO-3-OXOSPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-YL}-2-IODOACETAMIDE

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

Density: 3.0±0.1 g/cm3
Boiling Point: 774.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 422.4±32.9 °C
Index of Refraction: 1.960
Molar Refractivity: 165.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 188515.36
ACD/KOC (pH 5.5): 206664.84
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 65628.92
ACD/KOC (pH 7.4): 71947.41
Polar Surface Area: 105 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 118.3±5.0 dyne/cm
Molar Volume: 340.5±5.0 cm3

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