ChemSpider 2D Image | N-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-4'-yl)-2-iodoacetamide | C22H14INO6

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

  • Molecular FormulaC22H14INO6
  • Average mass515.254 Da
  • Monoisotopic mass514.986572 Da
  • ChemSpider ID13681238

More details:

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

Acetamide, N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-4'-yl)-2-iodo- [ACD/Index Name]
N-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-4'-yl)-2-iodacetamid [German] [ACD/IUPAC Name]
N-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-4'-yl)-2-iodoacetamide [ACD/IUPAC Name]
N-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-4'-yl)-2-iodoacétamide [French] [ACD/IUPAC Name]
[63368-54-7] [RN]
5-(Iodoacetamido)fluorescein
5-IAF
63368-54-7 [RN]
MFCD28964034

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

Density: 2.0±0.0 g/cm3
Boiling Point: 752.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 113.5±0.0 kJ/mol
Flash Point: 408.6±0.0 °C
Index of Refraction: 1.813
Molar Refractivity: 113.9±0.0 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.33
ACD/KOC (pH 5.5): 591.29
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.36
ACD/KOC (pH 7.4): 580.31
Polar Surface Area: 105 Å2
Polarizability: 45.2±0.0 10-24cm3
Surface Tension: 97.2±0.0 dyne/cm
Molar Volume: 263.4±0.0 cm3

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