ChemSpider 2D Image | adipiodone | C20H14I6N2O6

adipiodone

  • Molecular FormulaC20H14I6N2O6
  • Average mass1139.762 Da
  • Monoisotopic mass1139.511963 Da
  • ChemSpider ID3608

More details:

Featured data source
The Merck Index Online

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

210-105-5 [EINECS]
3,3'(Adipoyldiimino)bis(2,4,6-triiodobenzoic acid)
3,3'-(Adipoyldiimino)bis(2,4,6-triiodobenzoic acid)
3,3'-(Adipoyldiimino)bis[2,4,6-triiodobenzoic Acid]
3,3'-[(1,6-Dioxo-1,6-hexandiyl)diimino]bis(2,4,6-triiodbenzoesäure) [German] [ACD/IUPAC Name]
3,3'-[(1,6-Dioxo-1,6-hexanediyl)diimino]bis(2,4,6-triiodobenzoic acid) [ACD/IUPAC Name]
3,3'-[(1,6-Dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid)
3,3'-{[(1Z,6Z)-1,6-Dihydroxy-1,6-hexandiyliden]di(Z)azanylyliden}bis(2,4,6-triiodbenzoesäure) [German] [ACD/IUPAC Name]
3,3'-{[(1Z,6Z)-1,6-Dihydroxy-1,6-hexanediylidene]di(Z)azanylylidene}bis(2,4,6-triiodobenzoic acid) [ACD/IUPAC Name]
3-{5-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]pentanamido}-2,4,6-triiodobenzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

313 [DBID]
DG0949500 [DBID]
TKQ858A3VW [DBID]
BPBio1_000966 [DBID]
BRN 2230896 [DBID]
BSPBio_000878 [DBID]
D01774 [DBID]
I0639_SIGMA [DBID]
MLS001066414 [DBID]
NCGC00016523-01 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      V08AC04 Wikidata Q4682934

    • Target Organs:

      Others TargetMol T0271

    • Chemical Class:

      An organoiodine compound that is 3-amino-2,4,6-triiodobenzoic acid in which one of the amino hydrogens is substituted by a 6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl group. It is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography. ChEBI CHEBI:31176

    • Bio Activity:

      Others TargetMol T0271

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

Density: 2.9±0.1 g/cm3
Boiling Point: 958.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.1±3.0 kJ/mol
Flash Point: 533.3±37.1 °C
Index of Refraction: 1.849
Molar Refractivity: 176.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 75.5±7.0 dyne/cm
Molar Volume: 395.9±7.0 cm3

Click to predict properties on the Chemicalize site


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