[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C16H27N5O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-λ1-azanylpurin-9-yl)-3,4-dioxido-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trioxido-6-(oxidomethyl)tetrahydropyran-2-id-2-yl] phosphate
Molecular Mass 591.358 g·mol−1
Heat of Formation -3123.1 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 592.23 Å 3
Surface Area 450.88 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
  • adenosine 5'-(trihydrogen diphosphate), p'-alpha-d-glucopyranosyl ester
  • adenosine 5'-[3-(alpha-d-glucopyranosyl) dihydrogen diphosphate]
  • adenosine diphosphoglucose
  • adenosine pyrophosphateglucose
  • adenosine-5'-diphosphate-glucose
  • adenosine-5'-monophosphate glucopyranosyl-monophosphate ester
  • adp alpha-d-glucoside
  • adp glucose
  • adpglucose
  • adq
CAS Number(s)
  • 10128-35-5
  • 30142-50-8
InChIKey WFPZSXYXPSUOPY-ROYWQJLOSA-N
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