2-Anilinoadenosine

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Properties Simple | Detailed

Formula C16H18N6O4
IUPAC Name (2r,3r,4s,5r)-2-(6-amino-2-anilino-purin-9-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 358.352 g·mol−1
Heat of Formation -364.4 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 394.37 Å 3
Surface Area 336.45 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-amino-2-(phenylamino)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(phenylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(phenylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(phenylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (3r,4s,5r)-2-(6-amino-2-anilino-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • cv-1808
  • pdsp1_000996
  • pdsp1_001206
  • pdsp2_000980
  • pdsp2_001190
InChIKey SCNILGOVBBRMBK-SDBHATRESA-N
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