9-(α-L-Arabinofuranosyl)-N~2~-Phenyl-9H-Purine-2,6-Diamine

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Properties Simple | Detailed

Formula C16H18N6O4
IUPAC Name (2r,3r,4r,5s)-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 -347.4 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 396.79 Å 3
Surface Area 350.55 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5s)-2-[6-amino-2-(phenylamino)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4r,5s)-2-[6-amino-2-(phenylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4r,5s)-2-[6-amino-2-(phenylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4r,5s)-2-[6-amino-2-(phenylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • tocris-1710
InChIKey SCNILGOVBBRMBK-APAOZMKASA-N
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