ChemSpider 2D Image | 3-(Acetamidomethyl)-5-(glycoloylamino)-2,4,6-triiodobenzoic acid | C12H11I3N2O5

3-(Acetamidomethyl)-5-(glycoloylamino)-2,4,6-triiodobenzoic acid

  • Molecular FormulaC12H11I3N2O5
  • Average mass643.940 Da
  • Monoisotopic mass643.780151 Da
  • ChemSpider ID103874824

More details:

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

3-(Acetamidomethyl)-5-(glycoloylamino)-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-(Acetamidomethyl)-5-(glycoloylamino)-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
3-[(Acetylamino)methyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoic acid
39718-18-8 [RN]
Acide 3-(acétamidométhyl)-5-[(2-hydroxyacétyl)amino]-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(acetylamino)methyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 729.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 395.1±32.9 °C
Index of Refraction: 1.770
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 82.7±3.0 dyne/cm
Molar Volume: 254.0±3.0 cm3

Click to predict properties on the Chemicalize site


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