2',3'-Dideoxy-3'-Isocyanouridine

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Properties Simple | Detailed

Formula C10H11N3O4
IUPAC Name 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-isocyano-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 237.212 g·mol−1
Heat of Formation -480.0 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 270.12 Å 3
Surface Area 247.27 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5s)-4-isocyano-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-isocyano-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-isocyano-oxolan-2-yl]pyrimidine-2,4-dione
  • 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-isocyano-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 1-[(2r,4s,5s)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]pyrimidine-2,4-dione
  • 3'-isocyano-2',3'-dideoxyuridine
  • 3'-isocyano-ddu
  • 3'-isocyano-ddurd
  • uridine, 2',3'-dideoxy-3'-isocyano-
CAS Number(s)
  • 124288-72-8
InChIKey KEPYLRFTUFPYBU-LKEWCRSYSA-N
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