3'-Azido-3',5'-Dideoxy-5'-Isocyanothymidine

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Properties Simple | Detailed

Formula C11H12N6O3
IUPAC Name 1-[(2r,4s,5r)-4-azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular Mass 276.251 g·mol−1
Heat of Formation 1341.9 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 280.83 Å 3
Surface Area 271.64 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.99 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-[(2r,4s,5r)-4-azido-5-(isocyanomethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-azido-5-(isocyanomethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-azido-5-(isocyanomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-azido-5-(isocyanomethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-azido-5-(isocyanomethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 5'-isocyanoazt deriv.
  • aids-002638
  • aids002638
  • thymidine, 3'-azido-3',5'-dideoxy-5'-isocyano-
CAS Number(s)
  • 132101-32-7
InChIKey NRUVIUMKFMNFFI-DJLDLDEBSA-N
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