2-Amino-9-{2-[(1,2-~3~H_2_)Deoxy]-α-D-Ribofuranosyl}-7,9-Dihydro-3H-Purine-6,8-Dione

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Properties Simple | Detailed

Formula C10H11N5O5T2
IUPAC Name 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2,3-ditritio-tetrahydrofuran-2-yl]-3,7-dihydropurine-6,8-dione
Molecular Mass 287.257 g·mol−1
Heat of Formation -717.3 ± 16.7 kJ·mol−1
Dipole Moment 9.63 ± 1.08 D
Volume 293.8 Å 3
Surface Area 258.23 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2,3-ditritio-2-tetrahydrofuranyl]-3,7-dihydropurine-6,8-dione
  • 2-amino-9-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2,3-ditritio-oxolan-2-yl]-3,7-dihydropurine-6,8-dione
  • 2-amino-9-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2,3-ditritio-tetrahydrofuran-2-yl]-3,7-dihydropurine-6,8-dione
  • 2-amino-9-[(2r,3r,4s,5r)-4-hydroxy-5-methylol-2,3-ditritio-tetrahydrofuran-2-yl]-3,7-dihydropurine-6,8-quinone
InChIKey HCAJQHYUCKICQH-OXXRKFJZSA-N
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