ChemSpider 2D Image | 5-[{3-[(3,5-Bis{[(2R)-2,3-dihydroxypropyl]carbamoyl}-2,4,6-triiodophenyl)(formyl)amino]-2-hydroxypropyl}(formyl)amino]-N,N'-bis[(2S)-2,3-dihydroxypropyl]-2,4,6-triiodoisophthalamide | C33H40I6N6O15

5-[{3-[(3,5-Bis{[(2R)-2,3-dihydroxypropyl]carbamoyl}-2,4,6-triiodophenyl)(formyl)amino]-2-hydroxypropyl}(formyl)amino]-N,N'-bis[(2S)-2,3-dihydroxypropyl]-2,4,6-triiodoisophthalamide

  • Molecular FormulaC33H40I6N6O15
  • Average mass1522.129 Da
  • Monoisotopic mass1521.681885 Da
  • ChemSpider ID34988339

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, 5-[[3-[[3,5-bis[[[(2R)-2,3-dihydroxypropyl]amino]carbonyl]-2,4,6-triiodophenyl]formylamino]-2-hydroxypropyl]formylamino]-N1,N3-bis[(2S)-2,3-dihydroxypropyl]-2,4,6-triiodo - [ACD/Index Name]
5-[{3-[(3,5-Bis{[(2R)-2,3-dihydroxypropyl]carbamoyl}-2,4,6-triiodophényl)(formyl)amino]-2-hydroxypropyl}(formyl)amino]-N,N'-bis[(2S)-2,3-dihydroxypropyl]-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
5-[{3-[(3,5-Bis{[(2R)-2,3-dihydroxypropyl]carbamoyl}-2,4,6-triiodophenyl)(formyl)amino]-2-hydroxypropyl}(formyl)amino]-N,N'-bis[(2S)-2,3-dihydroxypropyl]-2,4,6-triiodoisophthalamide [ACD/IUPAC Name]
5-[{3-[(3,5-Bis{[(2R)-2,3-dihydroxypropyl]carbamoyl}-2,4,6-triiodphenyl)(formyl)amino]-2-hydroxypropyl}(formyl)amino]-N,N'-bis[(2S)-2,3-dihydroxypropyl]-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
1095110-48-7 [RN]
ioforminol [INN] [USAN]
UNII-95FNF21CDN

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1205.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 187.4±3.0 kJ/mol
Flash Point: 682.9±34.3 °C
Index of Refraction: 1.768
Molar Refractivity: 266.7±0.3 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -7.16
ACD/LogD (pH 5.5): -4.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 339 Å2
Polarizability: 105.7±0.5 10-24cm3
Surface Tension: 94.9±3.0 dyne/cm
Molar Volume: 642.8±3.0 cm3

Click to predict properties on the Chemicalize site


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