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

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Properties Simple | Detailed

Formula C19H25N8O9P
IUPAC Name [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 540.424 g·mol−1
Heat of Formation -1567.4 ± 16.7 kJ·mol−1
Dipole Moment 8.91 ± 1.08 D
Volume 566.41 Å 3
Surface Area 447.55 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate
  • [(2r,3s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-tetrahydrofuranyl] [(2r,3s,5r)-5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • cpa
InChIKey LYWWDKIADIGKTH-IDMWBNCISA-N
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