1-[(1Z)-1-Propen-1-Yl]-2,3-Dihydroxanthosine

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Properties Simple | Detailed

Formula C13H16N4O6
IUPAC Name 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-[(z)-prop-1-enyl]-3h-purine-2,6-dione
Molecular Mass 324.289 g·mol−1
Heat of Formation -832.7 ± 16.7 kJ·mol−1
Dipole Moment 8.20 ± 1.08 D
Volume 349.52 Å 3
Surface Area 306.83 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-allylxanthosine
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1-[(z)-prop-1-enyl]-3h-purine-2,6-dione
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(z)-prop-1-enyl]-3h-purine-2,6-dione
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-[(z)-prop-1-enyl]-3h-purine-2,6-dione
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1-[(z)-prop-1-enyl]xanthine
  • xanthosine, 1-(1-propenyl)-, (z)-
CAS Number(s)
  • 140156-27-0
InChIKey MVCFQPFKXZNLAU-UEMXZQTKSA-N
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