5'-O-[Hydroxy(L-Prolylamino)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C15H22N7O7P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-n-[(2s)-pyrrolidine-2-carbonyl]phosphonamidic acid
Molecular Mass 443.352 g·mol−1
Heat of Formation -1310.3 ± 16.7 kJ·mol−1
Dipole Moment 7.18 ± 1.08 D
Volume 475.75 Å 3
Surface Area 356.91 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-o-[n-(prolyl)-sulfamoyl]adenosine
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-n-[oxo-[(2s)-2-pyrrolidinyl]methyl]phosphonamidic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-n-[(2s)-pyrrolidin-2-yl]carbonyl-phosphonamidic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-n-[(2s)-pyrrolidine-2-carbonyl]phosphonamidic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-n-prolyl-phosphonamidic acid
  • psd
InChIKey BIVNOVXAWQKFMF-JVEUSOJLSA-N
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