(2R,3R,4R,5R)-2-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydro-3-Furanyl [(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Hydrogen Phosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C19H19N8O11P
IUPAC Name [(2r,3r,4r,5r)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular Mass 566.375 g·mol−1
Heat of Formation -1881.2 ± 16.7 kJ·mol−1
Dipole Moment 8.05 ± 1.08 D
Volume 588.08 Å 3
Surface Area 498.25 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r)-2-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3r,4r,5r)-2-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranyl] [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3r,4r,5r)-2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3r,4r,5r)-2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • cytidylyl(2'.5')adenosine
  • cytidylyl-2',5'-adenosine
CAS Number(s)
  • 22886-36-8
InChIKey ZETGRAMOFJURSW-KPKSGTNCSA-N
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