2'-Deoxy-8-(Propyn-1-Yl)Adenosine

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Properties Simple | Detailed

Formula C13H15N5O3
IUPAC Name (2r,3s,5r)-5-(6-amino-8-prop-1-ynyl-purin-9-ium-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 289.290 g·mol−1
Heat of Formation -92.0 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 328.93 Å 3
Surface Area 293.59 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-5-(6-amino-8-prop-1-ynyl-9-purinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-5-(6-amino-8-prop-1-ynyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
  • (2r,3s,5r)-5-(6-amino-8-prop-1-ynyl-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-(6-amino-8-prop-1-ynyl-purin-9-yl)-2-methylol-tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-(6-amino-8-prop-1-ynylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
InChIKey JJADQMVWPKZGHX-QXFUBDJGSA-N
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