2'-Deoxy-4'-Ethynylcytidine

Molecule SVG Image

Properties Simple | Detailed

Formula C11H13N3O4
IUPAC Name 4-amino-1-[(2r,4s,5r)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 251.239 g·mol−1
Heat of Formation -375.7 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 256.55 Å 3
Surface Area 227.72 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-deoxy-4.alpha.-ethynyl-.beta.-d-ribo-pentofuranosyl)cytosine
  • 4'-c-ethynyl-2'-deoxycytidine
  • 4-amino-1-[(2r,4s,5r)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,4s,5r)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,4s,5r)-5-ethynyl-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
InChIKey MSPJPGIGNWYLAC-JVUFJMBOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N