ChemSpider 2D Image | 5,5'-{Sulfanediylbis[(1-oxo-3,1-propanediyl)imino]}bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethylisophthalamide] | C38H50I6N6O14S

5,5'-{Sulfanediylbis[(1-oxo-3,1-propanediyl)imino]}bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethylisophthalamide]

  • Molecular FormulaC38H50I6N6O14S
  • Average mass1608.327 Da
  • Monoisotopic mass1607.737305 Da
  • ChemSpider ID21240007

More details:

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

1,3-Benzenedicarboxamide, 5,5'-[thiobis[(1-oxo-3,1-propanediyl)imino]]bis[N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl- [ACD/Index Name]
5,5'-{Sulfandiylbis[(1-oxo-3,1-propandiyl)imino]}bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiod-N,N'-dimethylisophthalamid] [German] [ACD/IUPAC Name]
5,5'-{Sulfanediylbis[(1-oxo-3,1-propanediyl)imino]}bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-diméthylisophtalamide] [French] [ACD/IUPAC Name]
5,5'-{Sulfanediylbis[(1-oxo-3,1-propanediyl)imino]}bis[N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethylisophthalamide] [ACD/IUPAC Name]
275-996-5 [EINECS]
71767-13-0 [RN]
Iotasul [INN] [USAN]
UNII-5FM9UX1LJB

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1384.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 220.0±3.0 kJ/mol
Flash Point: 791.3±37.1 °C
Index of Refraction: 1.743
Molar Refractivity: 289.4±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -2.77
ACD/LogD (pH 5.5): -4.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 334 Å2
Polarizability: 114.7±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 715.7±7.0 cm3

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