[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (3R,4R)-3,4,5-Trihydroxy-2-Oxopentyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C15H25N5O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] methyl phosphate; methanone
Molecular Mass 561.332 g·mol−1
Heat of Formation -2895.1 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 551.99 Å 3
Surface Area 434.28 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [hydroxy-[(3r,4r)-3,4,5-trihydroxy-2-oxopentoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[(3r,4r)-3,4,5-trihydroxy-2-oxo-pentoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(3r,4r)-3,4,5-trihydroxy-2-keto-pentoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(3r,4r)-3,4,5-trihydroxy-2-oxo-pentoxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3r,4r)-3,4,5-trihydroxy-2-oxopentoxy]phosphoryl] hydrogen phosphate
  • adenosine diphosphate ribulose
  • adp ribulose
  • adp-ribulose
CAS Number(s)
  • 148333-40-8
InChIKey UEWOFAOFTJYWBK-GKILRDIXSA-N
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