(2R)-2-{[6-(Benzyloxy)-9-Isopropyl-9H-Purin-2-Yl]Amino}-1-Butanol

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Properties Simple | Detailed

Formula C19H25N5O2
IUPAC Name (2r)-2-[(6-benzyloxy-9-isopropyl-purin-9-ium-3-id-2-yl)amino]butan-1-ol
Molecular Mass 355.434 g·mol−1
Heat of Formation -90.1 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 444.38 Å 3
Surface Area 397.3 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[6-(phenylmethoxy)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
  • (2r)-2-{[6-(benzyloxy)-9-isopropyl-9h-purin-2-yl]amino}butan-1-ol
  • o6-(r)-roscovitine, r-2-(6-benzyloxy-9-isopropyl-9h-purin-2-ylamino)-butan-1-ol
  • r6c
InChIKey HGADNQLEUZSUEJ-OAHLLOKOSA-N
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