2'-Deoxy-5'-O-Thiophosphonocytidine

Molecule SVG Image

Properties Simple | Detailed

Formula C9H14N3O6PS
IUPAC Name 4-amino-1-[(2r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 323.263 g·mol−1
Heat of Formation -1287.3 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 335.95 Å 3
Surface Area 280.27 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxyoxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,4s,5r)-5-(dihydroxythiophosphoryloxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one
  • cytidine, 2'-deoxy-, 5'-(dihydrogen phosphorothioate), homopolymer
  • s(dc)28
  • sd(c)28
  • sdc28
CAS Number(s)
  • 115401-96-2
InChIKey FHBXKBNKQMSUIJ-SHYZEUOFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S