5'-O-[Hydroxy(Methoxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C11H16N5O7P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl methyl hydrogen phosphate
Molecular Mass 361.248 g·mol−1
Heat of Formation -1282.4 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 373.95 Å 3
Surface Area 318.69 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, monomethyl ester
  • 5'adenylic acid, monomethyl ester
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl methyl hydrogen phosphate
  • adenosine 5'-(o-methylphosphate)
  • adenosine 5'-methyl phosphate
  • adenosine, 5'-(phosphoric acid methyl ester)
CAS Number(s)
  • 13039-54-8
  • 76652-93-2
InChIKey OYQVPLDFZZKUTQ-IOSLPCCCSA-N
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