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

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Properties Simple | Detailed

Formula C20H21N2O8P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 1-naphthyl hydrogen phosphate
Molecular Mass 448.363 g·mol−1
Heat of Formation -1584.4 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 485.86 Å 3
Surface Area 345.55 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 1-naphthyl ester 5'-methylthymidylic acid
  • 5'-methylthymidylic acid naphthyl ester
  • 5'-thymidylic acid, mono-1-naphthalenyl ester
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl 1-naphthyl hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl naphthalen-1-yl hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 1-naphthyl hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl naphthalen-1-yl hydrogen phosphate
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 1-naphthyl hydrogen phosphate
CAS Number(s)
  • 60091-21-6
InChIKey ISOQSBJCFFKLQV-CGTJXYLNSA-N
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