5'-O-[(2-Ammonioacetoxy)Phosphinato]Adenosine

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Properties Simple | Detailed

Formula C12H17N6O8P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2-azaniumylacetyl) phosphate
Molecular Mass 404.273 g·mol−1
Heat of Formation -1366.5 ± 16.7 kJ·mol−1
Dipole Moment 12.48 ± 1.08 D
Volume 414.18 Å 3
Surface Area 363.96 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (2-ammonio-1-oxoethyl) phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl 2-azaniumylethanoyl phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2-ammonioacetyl) phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2-azaniumylacetyl) phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2-azaniumylacetyl) phosphate
  • glycyl-adenosine-5'-phosphate
CAS Number(s)
  • 35985-26-3
InChIKey HROXHMRQKGGIFT-JJNLEZRASA-N
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