4-Amino-5-Chloro-1-[(2R,5S)-5-(Hydroxymethyl)-2,5-Dihydro-2-Furanyl]-2(1H)-Pyrimidinone

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Formula C9H10ClN3O3
IUPAC Name 4-amino-5-chloro-1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 243.647 g·mol−1
Heat of Formation -365.6 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 255.82 Å 3
Surface Area 238.0 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-didehydro-2',3'-dideoxy-5-chlorocytidine
  • 4-amino-5-chloro-1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-pyrimidinone
  • 4-amino-5-chloro-1-[(2r,5s)-5-methylol-2,5-dihydrofuran-2-yl]pyrimidin-2-one
  • 5-chloro-2',3'-didehydro-2',3'-dideoxycytidine
  • cytidine, 5-chloro-2',3'-didehydro-2',3'-dideoxy
  • d4cc
  • d4clc
  • d4clcyd
CAS Number(s)
  • 124743-30-2
InChIKey KOERXKFNWWUHEL-CAHLUQPWSA-N
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