N-(4-Hydroxybenzyl)Adenosine

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Formula C17H19N5O5
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purine-1,3,7-triium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 373.363 g·mol−1
Heat of Formation -541.8 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 416.04 Å 3
Surface Area 366.62 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-[(4-hydroxybenzyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]-9-purinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol
InChIKey UGVIXKXYLBAZND-LSCFUAHRSA-N
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