N-{1-[(2R,5S)-5-(Hydroxymethyl)-2,5-Dihydro-2-Furanyl]-2-Oxo-1,2-Dihydro-4-Pyrimidinyl}Benzamide

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Formula C16H15N3O4
IUPAC Name n-[1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
Molecular Mass 313.308 g·mol−1
Heat of Formation -376.3 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 350.53 Å 3
Surface Area 324.32 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • bz-d4c
  • bz-ddcn
  • cytidine, n-benzoyl-2',3'-didehydro-2',3'-dideoxy-
  • n(4)-benzoyl-2',3'-dideoxy-2',3'-didehydrocytidine
  • n-[1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxo-4-pyrimidinyl]benzamide
  • n-[1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
  • n-[1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide
  • n-[2-keto-1-[(2r,5s)-5-methylol-2,5-dihydrofuran-2-yl]pyrimidin-4-yl]benzamide
  • n-benzoyl-2',3'-didehydro-2',3'-dideoxycytidine
  • n4-benzoyl-2',3'-dideoxy-2',3'-didehydrocytidine
CAS Number(s)
  • 123413-57-0
InChIKey PXKQTZQZCJHBQL-GXTWGEPZSA-N
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