ChemSpider 2D Image | 2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-beta-D-erythro-hexopyranose | C18H22I3N3O8

2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-β-D-erythro-hexopyranose

  • Molecular FormulaC18H22I3N3O8
  • Average mass789.096 Da
  • Monoisotopic mass788.854065 Da
  • ChemSpider ID5145933

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodbenzoyl}amino)-2-desoxy-β-D-erythro-hexopyranose [German] [ACD/IUPAC Name]
2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-β-D-erythro-hexopyranose [ACD/IUPAC Name]
2-({3-Acétamido-5-[acétyl(méthyl)amino]-2,4,6-triiodobenzoyl}amino)-2-désoxy-β-D-érythro-hexopyranose [French] [ACD/IUPAC Name]
3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(2R,4S,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]benzamide
β-D-erythro-Hexopyranose, 2-[[3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl]amino]-2-deoxy- [ACD/Index Name]
31112-62-6 [RN]
Metrizamide [INN] [JAN] [USAN] [Wiki]

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

Prestwick_583 [DBID]
Prestwick0_000463 [DBID]
Prestwick1_000463 [DBID]
SPBio_002505 [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: 828.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.8±34.3 °C
Index of Refraction: 1.761
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.65
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.65
Polar Surface Area: 169 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 95.6±5.0 dyne/cm
Molar Volume: 335.8±5.0 cm3

Click to predict properties on the Chemicalize site


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