[(2R,3S,5S)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C18H11N5O11P
IUPAC Name [(2r,3s,5s)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Molecular Mass 504.281 g·mol−1
Heat of Formation -2180.8 ± 16.7 kJ·mol−1
Dipole Moment 8.38 ± 1.08 D
Volume 562.19 Å 3
Surface Area 464.93 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-dcpt
  • 2'-deoxycytidylyl-(3'-5')-thymidine
  • [(2r,3s,5s)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5s)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-tetrahydrofuranyl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • thymidine, 2'-deoxycytidylyl-(3'-5')-
CAS Number(s)
  • 4829-64-5
InChIKey OUJLZFGNZMPALU-LMNBOPHZSA-N
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