3'-Amino-3'-Deoxythymidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H18N3O13P3
IUPAC Name [[(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 481.184 g·mol−1
Heat of Formation -3291.5 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 463.8 Å 3
Surface Area 360.62 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-amino-3'-deoxythymidine triphosphate
  • 3'-deoxy-3'-aminothymidine-5'triphosphate
  • 3'-nh2-ddt-tp
  • 3'-nh2-dttp
  • 3-adtpp
  • [(2s,3s,5r)-3-amino-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • thymidine 5'-(tetrahydrogen triphosphate), 3'-amino-3'-deoxy-
  • thymidine 5'-(tetrahydrogen triphosphate), 3'-amino-3'-deoxy-, (+-)-
CAS Number(s)
  • 90053-16-0
InChIKey FGYGYHFEBIMMKO-XLPZGREQSA-N
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