{[(2S,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methoxy}(Hydroxy)Oxophosphonium

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Properties Simple | Detailed

Formula C9H13N3O5P+
IUPAC Name [(2s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
Molecular Mass 274.190 g·mol−1
Heat of Formation 733.7 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 285.63 Å 3
Surface Area 251.94 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -2.63 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-keto-phosphonium
  • [(2s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methoxy-hydroxy-oxophosphonium
  • [(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-oxo-phosphanium
  • [(2s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-oxo-phosphonium
  • cytidine, 2',3'-dideoxy-, 5'-(hydrogen phosphonate)
  • ddc-hp
CAS Number(s)
  • 140132-18-9
InChIKey UGDASISCCOKAOR-POYBYMJQSA-P
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