9-(2-Deoxy-β-D-Threo-Pentofuranosyl)-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H12N4O4
IUPAC Name [2-cyano-2-[[(z)-[4-oxo-5-(oxomethylene)tetrahydrofuran-2-ylidene]amino]methylamino]acetyl]-methylidyne-ammonium
Molecular Mass 252.227 g·mol−1
Heat of Formation -425.6 ± 16.7 kJ·mol−1
Dipole Moment 12.29 ± 1.08 D
Volume 271.34 Å 3
Surface Area 243.33 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 9-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 9-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 9-[(2r,4r,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-6-one
InChIKey VGONTNSXDCQUGY-FSDSQADBSA-N
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