(2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxy-N-Methyltetrahydro-2-Furancarboxamide

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Properties Simple | Detailed

Formula C11H14N6O4
IUPAC Name (2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide
Molecular Mass 294.267 g·mol−1
Heat of Formation -458.6 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 317.73 Å 3
Surface Area 272.67 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r)-5-(6-aminopurin-9-yl)-n-methyl-3,4-dihydroxy-oxolane-2-carboxamide
  • (2s,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-n-methyl-2-tetrahydrofurancarboxamide
  • (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-n-methyl-oxolane-2-carboxamide
  • (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-n-methyloxolane-2-carboxamide
  • 1-(6-amino-9h-purin-9-yl)-1-deoxy-n-methylribofuranuronamide hemihydrate
  • 5'-n-methylcarboxamideadenosine
  • adenosine-5'-(n-methyl)carboxamide hemihydrate
  • pdsp1_001000
  • pdsp1_001295
  • pdsp2_000984
  • pdsp2_001279
  • ribofuranuronamide, 1-(6-amino-9h-purin-9-yl)-1-deoxy-n-methyl-, hemihydrate
InChIKey PLYRYAHDNXANEG-QMWPFBOUSA-N
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