2-(4-{[(2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Carbonyl}-1-Piperazinyl)-N-(1-Oxo-2,3-Dihydro-1H-Isoindol-4-Yl)Acetamide

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Properties Simple | Detailed

Formula C24H27N9O6
IUPAC Name 2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]piperazin-1-yl]-n-(1-oxo-2,3-dihydroisoindol-4-yl)acetamide
Molecular Mass 537.528 g·mol−1
Heat of Formation -582.0 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 586.17 Å 3
Surface Area 498.22 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]carbonylpiperazin-1-yl]-n-(1-oxo-2,3-dihydroisoindol-4-yl)ethanamide
  • 2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]piperazin-1-yl]-n-(1-ketoisoindolin-4-yl)acetamide
  • 2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbonyl]piperazin-1-yl]-n-(1-oxoisoindolin-4-yl)acetamide
  • 2-[4-[[(2s,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]-oxomethyl]-1-piperazinyl]-n-(1-oxo-4-isoindolinyl)acetamide
InChIKey DDFLFKTXUWPNMV-UAKAABGRSA-N
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