9-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-6-[(Diethylcarbamoyl)Oxy]-9H-Purin-2-Amine

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Properties Simple | Detailed

Formula C15H22N6O5
IUPAC Name [2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-9-ium-6-yl] n,n-diethylcarbamate
Molecular Mass 366.372 g·mol−1
Heat of Formation -671.1 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 417.23 Å 3
Surface Area 369.25 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-6-diethylcarbamyloxyguanosine
  • 6-dec-dguo
  • 6-diethylcarbamyloxy-2'-deoxyguanosine
  • [2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl] n,n-diethylcarbamate
  • carbamic acid, diethyl-, 2-amino-9-(2-deoxy-beta-d-erythro-pentofuranosyl)-9h-purin-6-yl ester
  • n,n-diethylcarbamic acid [2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-purinyl] ester
  • n,n-diethylcarbamic acid [2-amino-9-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl] ester
CAS Number(s)
  • 82721-27-5
InChIKey KEDZSJOJOMRSSF-IVZWLZJFSA-N
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