2'-Deoxyadenosine 5'-(Tetrahydrogen Triphosphate) 3'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C10H12N5O18P5
IUPAC Name [(2r,3s)-5-[(5e)-4-cyano-5-cyanoimino-imidazol-1-yl]-2-[[oxido-[oxido-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-5-id-3-yl] (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate
Molecular Mass 645.094 g·mol−1
Heat of Formation -4589.4 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 591.05 Å 3
Surface Area 477.53 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(6-amino-9-purinyl)-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] phosphono hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-3'-(trihydrogen diphosphate)
  • deoxyadenosine-5'-tri-3'-diphosphate
CAS Number(s)
  • 69150-52-3
InChIKey HCCOSUQSYWESKP-RRKCRQDMSA-N
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