2'-O-(5-O-Phosphono-β-D-Ribofuranosyl)Adenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C15H23N5O14P2
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 559.316 g·mol−1
Heat of Formation -2854.4 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 563.1 Å 3
Surface Area 443.65 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-(5''-phosphoribosyl)-5'-adenosine monophosphate
  • 2-(5''-phosphoribosyl)-5'-amp
  • 5'-adenylic acid, 2'-o-(5-o-phosphono-beta-d-ribofuranosyl)-
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-4-[[(2s,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-tetrahydrofuranyl]oxy]-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 11045-18-4
  • 15720-01-1
InChIKey BHIWBSNWEZIHHL-ZQSHOCFMSA-N
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