ChemSpider 2D Image | N-{5-[6-(Dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl}-2-[(iodoacetyl)amino]-3-(4-methoxyphenyl)propanamide | C24H30IN7O6

N-{5-[6-(Dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl}-2-[(iodoacetyl)amino]-3-(4-methoxyphenyl)propanamide

  • Molecular FormulaC24H30IN7O6
  • Average mass639.443 Da
  • Monoisotopic mass639.130188 Da
  • ChemSpider ID166052

More details:

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

9H-Purin-6-amine, 9-[3-deoxy-3-[[2-[(2-iodoacetyl)amino]-3-(4-methoxyphenyl)-1-oxopropyl]amino]pentofuranosyl]-N,N-dimethyl- [ACD/Index Name]
N-{5-[6-(Diméthylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxyméthyl)tétrahydro-3-furanyl}-2-[(2-iodoacétyl)amino]-3-(4-méthoxyphényl)propanamide [French] [ACD/IUPAC Name]
N-{5-[6-(Dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl}-2-[(iodacetyl)amino]-3-(4-methoxyphenyl)propanamid [German] [ACD/IUPAC Name]
N-{5-[6-(Dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl}-2-[(iodoacetyl)amino]-3-(4-methoxyphenyl)propanamide [ACD/IUPAC Name]
51959-56-9 [RN]
n-{5-[6-(dimethylamino)-9h-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl}-2-[(iodoacetyl)amino]-3-(4-methoxyphenyl)propanamide(non-preferred name)
N-Iodoacetylpuromycin

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.718
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.01
ACD/KOC (pH 5.5): 107.19
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.50
ACD/KOC (pH 7.4): 117.86
Polar Surface Area: 164 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 366.5±7.0 cm3

Click to predict properties on the Chemicalize site


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