8-(2-Hydroxy-2-Propanyl)Adenosine

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Properties Simple | Detailed

Formula C13H19N5O5
IUPAC Name (2r,3r,4s,5r)-2-[6-amino-8-(1-hydroxy-1-methyl-ethyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 325.320 g·mol−1
Heat of Formation -745.9 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 360.64 Å 3
Surface Area 301.23 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-amino-8-(1-hydroxy-1-methyl-ethyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-8-(1-hydroxy-1-methyl-ethyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-8-(1-hydroxy-1-methylethyl)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • 8-(alpha-hydroxyisopropyl)adenosine
  • adenosine, 8-(1-hydroxy-1-methylethyl)-
CAS Number(s)
  • 23844-14-6
InChIKey GXKTXHUOBKLFMI-IOSLPCCCSA-N
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