3'-O-[(4-Aminophenoxy)(Hydroxy)Phosphoryl]Thymidine

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Properties Simple | Detailed

Formula C16H20N3O8P
IUPAC Name (4-aminophenyl) [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 413.319 g·mol−1
Heat of Formation -1649.1 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 438.01 Å 3
Surface Area 356.29 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (4-aminophenyl) [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • (4-aminophenyl) [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
  • (4-aminophenyl) [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate
  • (4-aminophenyl) [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
  • (4-aminophenyl) [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate
  • 3'-thymidylic acid, mono(4-aminophenyl) ester
  • maptmp
  • mono(4-aminophenyl)-3'-thymidylic acid ester
CAS Number(s)
  • 24960-61-0
InChIKey HXGZBJUOISOSHJ-BFHYXJOUSA-N
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