ChemSpider 2D Image | 5-[Acetyl(2-hydroxy-3-methoxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide | C20H28I3N3O9

5-[Acetyl(2-hydroxy-3-methoxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

  • Molecular FormulaC20H28I3N3O9
  • Average mass835.164 Da
  • Monoisotopic mass834.895935 Da
  • ChemSpider ID21240090

More details:

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

1,3-Benzenedicarboxamide, 5-[acetyl(2-hydroxy-3-methoxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo- [ACD/Index Name]
5-[Acetyl(2-hydroxy-3-methoxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
5-[Acétyl(2-hydroxy-3-méthoxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
5-[Acetyl(2-hydroxy-3-methoxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide [ACD/IUPAC Name]
89797-00-2 [RN]
iopentol [BAN] [INN] [USAN]
UNII-7D6XWX076T

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

Density: 2.2±0.1 g/cm3
Boiling Point: 926.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 514.0±37.1 °C
Index of Refraction: 1.703
Molar Refractivity: 148.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 64.8±7.0 dyne/cm
Molar Volume: 381.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement