ChemSpider 2D Image | 3-Acetamido-5-(beta-D-glucopyranosyloxy)-2,4,6-triiodo-N-methylbenzamide | C16H19I3N2O8

3-Acetamido-5-(β-D-glucopyranosyloxy)-2,4,6-triiodo-N-methylbenzamide

  • Molecular FormulaC16H19I3N2O8
  • Average mass748.044 Da
  • Monoisotopic mass747.827515 Da
  • ChemSpider ID171700

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Acetamido-5-(β-D-glucopyranosyloxy)-2,4,6-triiod-N-methylbenzamid [German] [ACD/IUPAC Name]
3-Acetamido-5-(β-D-glucopyranosyloxy)-2,4,6-triiodo-N-methylbenzamide [ACD/IUPAC Name]
3-Acétamido-5-(β-D-glucopyranosyloxy)-2,4,6-triiodo-N-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 3-(acetylamino)-5-(β-D-glucopyranosyloxy)-2,4,6-triiodo-N-methyl- [ACD/Index Name]
2,4,5-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl- D-glucopyranoside
2,4,6-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl β-D-glucopyranoside
3-(Acetylamino)-5-(β-D-glucopyranosyloxy)-2,4,6-triiodo-N-methylbenzamide
58199-95-4 [RN]
5-Acetamido-3-(β-D-glucopyranos-1-yloxy)-N-methyl-2,4,6-triiodobenzenecarboxamide
Benzenecarboxamide, 5-acetamido-3-(β-D-glucopyranos-1-yloxy)-N-methyl-2,4,6-triiodo-

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

BRN 1609797 [DBID]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 724.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 391.9±32.9 °C
Index of Refraction: 1.748
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.62
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.05
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.05
Polar Surface Area: 158 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 78.4±3.0 dyne/cm
Molar Volume: 316.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement