2'-Deoxy-5'-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Amino}Phosphoryl)Cytidine

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Properties Simple | Detailed

Formula C9H17N4O12P3+
IUPAC Name [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-[hydroxy(phosphonooxy)phosphoryl]phosphonamidic acid
Molecular Mass 466.172 g·mol−1
Heat of Formation -2946.9 ± 16.7 kJ·mol−1
Dipole Moment 8.89 ± 1.08 D
Volume 446.91 Å 3
Surface Area 377.08 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-(hydroxy-phosphonooxy-phosphoryl)phosphonamidic acid
  • [(2r,3s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methoxy-n-(hydroxy-phosphonooxyphosphoryl)phosphonamidic acid
  • [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-n-(hydroxy-phosphonooxy-phosphoryl)phosphonamidic acid
  • [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-(hydroxy-phosphonooxy-phosphoryl)phosphonamidic acid
  • [({[5-(4-amino-2-oxohydropyrimidinyl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl))amino](hydroxyphosphoryl) dihydrogen phosphate
  • dcmpnpp
InChIKey STYMTWKSQLVXJN-SHYZEUOFSA-N
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