ChemSpider 2D Image | 2-[{[(2R,3S,4R,5R)-5-(6-Amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]acetamide | C14H21N7O4

2-[{[(2R,3S,4R,5R)-5-(6-Amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]acetamide

  • Molecular FormulaC14H21N7O4
  • Average mass351.361 Da
  • Monoisotopic mass351.165497 Da
  • ChemSpider ID23334959

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[{[(2R,3S,4R,5R)-5-(6-Amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]acetamid [German] [ACD/IUPAC Name]
2-[{[(2R,3S,4R,5R)-5-(6-Amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]acetamide [ACD/IUPAC Name]
2-[{[(2R,3S,4R,5R)-5-(6-Amino-8-méthyl-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyl}(méthyl)amino]acétamide [French] [ACD/IUPAC Name]
2-[{[(2r,3s,4r,5r)-5-(6-Amino-8-Methyl-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl}(Methyl)amino]acetamide
Adenosine, 5'-[(2-amino-2-oxoethyl)methylamino]-5'-deoxy-8-methyl- [ACD/Index Name]
2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide (non-preferred name)
5'-[(Carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
AdoMet substrate analogue, 17f
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460913/
O8M

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

Density: 1.8±0.1 g/cm3
Boiling Point: 742.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.6±32.9 °C
Index of Refraction: 1.789
Molar Refractivity: 83.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -2.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.15
Polar Surface Area: 166 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 80.2±7.0 dyne/cm
Molar Volume: 198.3±7.0 cm3

Click to predict properties on the Chemicalize site


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