5-Fluorocytidine

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Properties Simple | Detailed

Formula C9H13FN3O5+
IUPAC Name 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-pyrimidin-1-ium-3-id-2-one
Molecular Mass 262.215 g·mol−1
Heat of Formation -977.7 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 268.24 Å 3
Surface Area 244.2 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-fluoro-2-pyrimidinone
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-pyrimidin-2-one
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-fluoro-pyrimidin-2-one
  • cytidine, 5-fluoro-
CAS Number(s)
  • 2341-22-2
InChIKey STRZQWQNZQMHQR-UAKXSSHOSA-N
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