1-(6-Amino-9H-Purin-9-Yl)-N-Cyclopropyl-1-Deoxy-β-D-Ribofuranuronamide

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Properties Simple | Detailed

Formula C13H16N6O4
IUPAC Name (2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-n-cyclopropyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Molecular Mass 320.304 g·mol−1
Heat of Formation -336.7 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 354.44 Å 3
Surface Area 317.91 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-5-(6-amino-9-purinyl)-n-cyclopropyl-3,4-dihydroxy-2-tetrahydrofurancarboxamide
  • (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-cyclopropyl-3,4-dihydroxy-oxolane-2-carboxamide
  • (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-cyclopropyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide
  • pdsp1_001003
  • pdsp2_000987
InChIKey MYNRELUCFAQMFC-QRIDJOKKSA-N
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