2-Oxo-1-[(1Z)-1-Propen-1-Yl]-2-Hydroadenosine

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Properties Simple | Detailed

Formula C13H17N5O5
IUPAC Name 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-[(z)-prop-1-enyl]purin-2-one
Molecular Mass 323.305 g·mol−1
Heat of Formation -624.7 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 353.35 Å 3
Surface Area 307.1 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1-allylisoguanosine
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1-[(z)-prop-1-enyl]-2-purinone
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(z)-prop-1-enyl]purin-2-one
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-[(z)-prop-1-enyl]purin-2-one
  • 6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1-[(z)-prop-1-enyl]purin-2-one
  • adenosine, 1,2-dihydro-2-oxo-1-(1-propenyl)-, (z)-
CAS Number(s)
  • 140156-26-9
InChIKey GHRFOPVFWKOWEV-UEMXZQTKSA-N
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