ChemSpider 2D Image | 5,5'-[(2-Hydroxy-1,3-propanediyl)bis(acetylimino)]bis{N,N'-bis[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodoisophthalamide} | C35H44I6N6O15

5,5'-[(2-Hydroxy-1,3-propanediyl)bis(acetylimino)]bis{N,N'-bis[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodoisophthalamide}

  • Molecular FormulaC35H44I6N6O15
  • Average mass1550.182 Da
  • Monoisotopic mass1549.713257 Da
  • ChemSpider ID5036730

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(acetylimino)]bis[N1,N3-bis[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodo- [ACD/Index Name]
5,5'-[(2-Hydroxy-1,3-propandiyl)bis(acetylimino)]bis{N,N'-bis[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodisophthalamid} [German] [ACD/IUPAC Name]
5,5'-[(2-Hydroxy-1,3-propanediyl)bis(acétylimino)]bis{N,N'-bis[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodoisophtalamide} [French] [ACD/IUPAC Name]
5,5'-[(2-Hydroxy-1,3-propanediyl)bis(acetylimino)]bis{N,N'-bis[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodoisophthalamide} [ACD/IUPAC Name]

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

NCGC00016958-01 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1250.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 195.4±3.0 kJ/mol
Flash Point: 710.3±34.3 °C
Index of Refraction: 1.752
Molar Refractivity: 275.6±0.3 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -5.88
ACD/LogD (pH 5.5): -3.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 339 Å2
Polarizability: 109.3±0.5 10-24cm3
Surface Tension: 89.6±3.0 dyne/cm
Molar Volume: 675.4±3.0 cm3

Click to predict properties on the Chemicalize site


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