Torcitabine

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Formula C9H13N3O4+
IUPAC Name 4-amino-1-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 227.217 g·mol−1
Heat of Formation -620.7 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 253.69 Å 3
Surface Area 235.42 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-l-2'-deoxycytidine
  • .beta.-l-2'dcyd
  • 2(1h)-pyrimidinone, 4-amino-1-(2-deoxy-beta-l-erythro-pentofuranosyl)-
  • 4-amino-1-(2-deoxy-beta-l-erythro-pentofuranosyl)pyrimidin-2(1h)-one
  • 4-amino-1-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2s,4r,5s)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
  • l-dc
  • ldc
  • nv-02c
CAS Number(s)
  • 40093-94-5
InChIKey CKTSBUTUHBMZGZ-CHKWXVPMSA-N
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