Gemcitabine

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Formula C9H11F2N3O4
IUPAC Name 4-amino-1-[(2r,4r,5r)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-3-ium-2-one
Molecular Mass 263.198 g·mol−1
Heat of Formation -1031.7 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 264.15 Å 3
Surface Area 238.76 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,4r,5r)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-pyrimidin-1-ium-2-one
  • 4-amino-1-[(2r,4r,5r)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-pyrimidin-1-ium-2-one
  • 4-amino-1-[(2r,4r,5r)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-pyrimidin-1-ium-2-one
  • 4-amino-1-[(2r,4r,5r)-3,3-difluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-pyrimidin-1-ium-2-one
InChIKey SDUQYLNIPVEERB-QPPQHZFASA-O
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