5-Chloro-2'-Deoxycytidine

Molecule SVG Image

Properties Simple | Detailed

Formula C9H12ClN3O4
IUPAC Name 4-amino-5-chloro-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 261.662 g·mol−1
Heat of Formation -664.4 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 275.61 Å 3
Surface Area 246.55 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-5-chlorocytidine
  • 4-amino-5-chloro-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-5-chloro-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  • 4-amino-5-chloro-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-5-chloro-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
  • 5-chlorodeoxycytidine
InChIKey NGGRGTWYSXYVDK-RRKCRQDMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl