2-Amino-9-(2-Deoxy-α-L-Erythro-Pentofuranosyl)-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H13N5O4
IUPAC Name 2-amino-9-[(2r,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 267.241 g·mol−1
Heat of Formation -434.7 ± 16.7 kJ·mol−1
Dipole Moment 11.59 ± 1.08 D
Volume 289.94 Å 3
Surface Area 263.52 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,4r,5s)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 2-amino-9-[(2r,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 2-amino-9-[(2r,4r,5s)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-6-one
  • 9-(2-deoxy-.alpha.-l-erythro-pentofuranosyl)guanine
InChIKey YKBGVTZYEHREMT-NGJCXOISSA-N
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