1-Cyclopropyl-2-Oxo-2-Hydroadenosine

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Properties Simple | Detailed

Formula C13H17N5O5
IUPAC Name 6-amino-1-cyclopropyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-3,7-diium-6-id-2-one
Molecular Mass 323.305 g·mol−1
Heat of Formation -549.4 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 353.43 Å 3
Surface Area 311.26 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cyclopropylisoguanosine
  • 6-amino-1-cyclopropyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-purinone
  • 6-amino-1-cyclopropyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-one
  • 6-amino-1-cyclopropyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-one
  • 6-amino-1-cyclopropyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-2-one
  • adenosine, 1-cyclopropyl-1,2-dihydro-2-oxo-
  • bn 063
  • bn-063
CAS Number(s)
  • 133967-00-7
InChIKey WHBIVTCTMMRQMU-WOUKDFQISA-N
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