2-Amino-9-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-3-Methyl-3,7,8,9-Tetrahydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C11H18N5O4+
IUPAC Name 2-amino-9-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-7,8-dihydropurin-3-ium-1-id-6-one
Molecular Mass 284.292 g·mol−1
Heat of Formation -476.4 ± 16.7 kJ·mol−1
Dipole Moment 8.72 ± 1.08 D
Volume 315.9 Å 3
Surface Area 277.7 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-3-methylguanosine
  • 2-amino-9-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3-methyl-7,8-dihydropurin-6-one
  • 2-amino-9-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-7,8-dihydropurin-6-one
  • 2-amino-9-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-7,8-dihydropurin-6-one
  • 2-amino-9-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3-methyl-7,8-dihydropurin-6-one
  • 3-methyl-2'-deoxyguanosine
CAS Number(s)
  • 92754-66-0
InChIKey GBVPJUKVISOOHK-XVMARJQXSA-N
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