ChemSpider 2D Image | 3-[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]propanamide | C14H21N7O4

3-[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]propanamide

  • Molecular FormulaC14H21N7O4
  • Average mass351.361 Da
  • Monoisotopic mass351.165497 Da
  • ChemSpider ID25037039

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]propanamid [German] [ACD/IUPAC Name]
3-[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]propanamide [ACD/IUPAC Name]
3-[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyl}(méthyl)amino]propanamide [French] [ACD/IUPAC Name]
Adenosine, 5'-[(3-amino-3-oxopropyl)methylamino]-5'-deoxy- [ACD/Index Name]
AdoMet substrate analogue, 17j

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

Density: 1.8±0.1 g/cm3
Boiling Point: 745.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.5±35.7 °C
Index of Refraction: 1.787
Molar Refractivity: 84.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 82.9±7.0 dyne/cm
Molar Volume: 199.2±7.0 cm3

Click to predict properties on the Chemicalize site


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