[(2R,3S,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3-Hydroxytetrahydro-2-Furanyl]Methyl (2R,3S,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-3-Furanyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C17H6N5O11P
IUPAC Name 2-[3-hydroxy-1-[2-[2-(oxomethylene)hydrazino]ethynylamino]prop-2-ynoxy]ethynyl [(5z)-2-(oxomethylene)-5-[3-oxo-3-(oxomethyleneammonio)prop-1-ynyl]imino-3-furyl] phosphate
Molecular Mass 487.230 g·mol−1
Heat of Formation -2176.7 ± 16.7 kJ·mol−1
Dipole Moment 10.91 ± 1.08 D
Volume 560.32 Å 3
Surface Area 459.55 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxycytidylyl-(3',5')-thymidylic(5')acid
  • [(2r,3s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate
  • dtpdc
  • thymidine, 2'-deoxycytidylyl-(5'-3')-
  • thymidylyl-(3'-5')-deoxycytidine
  • thymidylyl-3',5',2'-deoxycytidine
CAS Number(s)
  • 5178-19-8
InChIKey JOORWUINAFDIEP-SWTKMSQOSA-N
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