5'-O-[{[{[(2R,3R,4S)-3,4-Dihydroxy-2-Pyrrolidinyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Formula C15H24N6O12P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methyl hydrogen phosphate
Molecular Mass 542.332 g·mol−1
Heat of Formation -2432.3 ± 16.7 kJ·mol−1
Dipole Moment 7.12 ± 1.08 D
Volume 559.85 Å 3
Surface Area 401.8 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-o-[(s)-{[(s)-{[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
  • [(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methyl-adp
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3r,4s)-3,4-dihydroxy-2-pyrrolidinyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • adenosine 5'-(3-{[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methyl} dihydrogen diphosphate)
  • adenosine 5'-diphosphate (hydroxymethyl)pyrrolidinediol
  • adp-hpd
InChIKey NDQDTBCXPOIQGT-UHNJQBFTSA-N
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