(2S,3S,4R,5R)-5-{6-Amino-2-[(2-Phenylethyl)Amino]-9H-Purin-9-Yl}-N-Ethyl-3,4-Dihydroxytetrahydro-2-Furancarboxamide

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Properties Simple | Detailed

Formula C20H25N7O4
IUPAC Name (2s,3s,4r,5r)-5-[6-amino-2-(2-phenylethylamino)purine-1,3,7-triium-9-yl]-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Molecular Mass 427.457 g·mol−1
Heat of Formation -438.6 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 496.02 Å 3
Surface Area 421.43 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-5-[6-amino-2-(2-phenylethylamino)-9-purinyl]-n-ethyl-3,4-dihydroxy-2-tetrahydrofurancarboxamide
  • (2s,3s,4r,5r)-5-[6-amino-2-(2-phenylethylamino)purin-9-yl]-n-ethyl-3,4-dihydroxy-oxolane-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-amino-2-(2-phenylethylamino)purin-9-yl]-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
  • (2s,3s,4r,5r)-5-[6-amino-2-(2-phenylethylamino)purin-9-yl]-n-ethyl-3,4-dihydroxyoxolane-2-carboxamide
  • 2-phenethylamino-5'-n-ethylcarboxamidoadenosine
  • beta-d-ribofuranuronamide, 1-(6-amino-2-((2-phenylethyl)amino)-9h-purin-9-yl)-1-deoxy-n-ethyl-
  • cgs 21577
  • cgs-21577
  • pdsp1_001207
  • pdsp2_001191
CAS Number(s)
  • 120225-53-8
InChIKey UQERKZWKUCVXID-QCUYGVNKSA-N
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