1-{3-Azido-2,3-Dideoxy-5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-α-D-Erythro-Pentofuranosyl}-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C10H16N5O10P2
IUPAC Name [(2s,3s,5s)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 428.209 g·mol−1
Heat of Formation -2101.2 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 419.36 Å 3
Surface Area 355.57 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-azido-3'-deoxythymidine 5'-diphosphate
  • [(2s,3s,5s)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2s,3s,5s)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2s,3s,5s)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2s,3s,5s)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2s,3s,5s)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
  • aztdp
  • thymidine 5'-(trihydrogen diphosphate), 3'-azido-3'-deoxy-
CAS Number(s)
  • 106060-89-3
InChIKey QOYVAFWJURKBJG-RNJXMRFFSA-N
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