4-Amino-1-[(2R,5R)-5-Hydroxytetrahydro-2H-Pyran-2-Yl]-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C9H13N3O3
IUPAC Name 4-amino-1-[(2r,5r)-5-hydroxytetrahydropyran-2-yl]pyrimidin-2-one
Molecular Mass 211.218 g·mol−1
Heat of Formation -467.1 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 239.11 Å 3
Surface Area 224.03 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,3-dideoxy-alpha-l-glycero-pentopyranosyl)cytosine
  • 2(1h)-pyrimidinone, 4-amino-1-(tetrahydro-5-hydroxy-2h-pyran-2-yl)-, (2r-cis)-
  • 4-amino-1-[(2r,5r)-5-hydroxy-2-tetrahydropyranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,5r)-5-hydroxyoxan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,5r)-5-hydroxytetrahydropyran-2-yl]pyrimidin-2-one
  • pentopyranine a
CAS Number(s)
  • 39057-02-8
InChIKey RQQDLJNLFGVCKQ-HTRCEHHLSA-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