6-Amino-9-(2-Deoxy-β-L-Erythro-Pentofuranosyl)-1,2,7,9-Tetrahydro-8H-Purin-8-One

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Formula C10H15N5O4
IUPAC Name 6-amino-9-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2-dihydropurin-8-one
Molecular Mass 269.257 g·mol−1
Heat of Formation -547.6 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 293.93 Å 3
Surface Area 253.33 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • 6-amino-9-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2,7-dihydro-1h-purin-8-one
  • 6-amino-9-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1h-purin-8-one
  • 6-amino-9-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,7-dihydro-1h-purin-8-one
  • 6-amino-9-[(2s,4r,5s)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2,7-dihydro-1h-purin-8-one
  • 8-oxodeoxyadenosine
InChIKey KTCVXRUKSBTHOG-SRQIZXRXSA-N
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