5'-O-[Hydroxy(1-Naphthylamino)Phosphoryl]Thymidine

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Properties Simple | Detailed

Formula C20H22N3O7P++
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-n-(1-naphthyl)phosphonamidic acid
Molecular Mass 447.378 g·mol−1
Heat of Formation -1363.7 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 490.55 Å 3
Surface Area 347.47 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methoxy-n-(1-naphthyl)phosphonamidic acid
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy-n-naphthalen-1-yl-phosphonamidic acid
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-n-(1-naphthyl)phosphonamidic acid
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-n-naphthalen-1-ylphosphonamidic acid
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-(1-naphthyl)phosphonamidic acid
  • thymidine 5'-phospho-alpha-naphthylamidate
  • thymidine, 5'-(hydrogen 1-naphthalenylphosphoramidate)
CAS Number(s)
  • 52065-37-9
InChIKey YPQRFEFTZWDVDH-RCCFBDPRSA-N
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