9-(3-Amino-3-Deoxy-β-D-Lyxofuranosyl)-N,N-Dimethyl-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C12H18N6O3
IUPAC Name (2r,3s,4r,5s)-4-amino-2-[6-(dimethylamino)purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 294.310 g·mol−1
Heat of Formation -282.8 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 327.3 Å 3
Surface Area 288.18 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5s)-4-amino-2-(6-dimethylamino-9-purinyl)-5-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3s,4r,5s)-4-amino-2-(6-dimethylaminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,4r,5s)-4-amino-2-(6-dimethylaminopurin-9-yl)-5-methylol-tetrahydrofuran-3-ol
  • 3′-amino-3′-deoxy-n6,n6-dimethyladenosine
InChIKey RYSMHWILUNYBFW-VENHTOENSA-N
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