ChemSpider 2D Image | Ioxaglic acid | C24H21I6N5O8

Ioxaglic acid

  • Molecular FormulaC24H21I6N5O8
  • Average mass1268.879 Da
  • Monoisotopic mass1268.565796 Da
  • ChemSpider ID3611

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261-560-1 [EINECS]
3-({[({3-[Acetyl(methyl)amino]-2,4,6-triiod-5-(methylcarbamoyl)phenyl}carbonyl)amino]acetyl}amino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodbenzolcarbonsäure [German]
3-({[({3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl}carbonyl)amino]acetyl}amino)-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
3-[(N-{3-[Acetyl(methyl)amino]-2,4,6-triiod-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-[(N-{3-[Acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
3-{[N-({3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl}carbonyl)glycyl]amino}-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
3-{[N-({3-[acetyl(methyl)amino]-2,4,6-triiodo-5-[(methylamino)carbonyl]phenyl}carbonyl)glycyl]amino}-5-{[(2-hydroxyethyl)amino]carbonyl}-2,4,6-triiodobenzoic acid
4217
59017-64-0 [RN]
acide 3-({[({3-[acétyl(méthyl)amino]-2,4,6-triiodo-5-(méthylcarbamoyl)phényl}carbonyl)amino]acétyl}amino)-5-[(2-hydroxyéthyl)carbamoyl]-2,4,6-triiodobenzoïque [French]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D01761 [DBID]
NCGC00016886-01 [DBID]
P 286 [DBID]
Prestwick0_001062 [DBID]
Prestwick1_001062 [DBID]
SPBio_002962 [DBID]
  • Miscellaneous
    • Chemical Class:

      A benzenedicarboxamide compound having <element>N</element>-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an acetyl(methyl)amino group at the 5-position. ChEBI CHEBI:31718

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.5±0.1 g/cm3
Boiling Point: 887.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 490.8±34.3 °C
Index of Refraction: 1.787
Molar Refractivity: 210.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 83.4±0.5 10-24cm3
Surface Tension: 83.0±3.0 dyne/cm
Molar Volume: 498.5±3.0 cm3

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