4-Amino-1-{[(5S)-2-Hydroxy-2-Oxido-1,4,2-Dioxaphosphinan-5-Yl]Methyl}-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C8H12N3O5P
IUPAC Name 4-amino-1-[[(2s,5s)-2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl]methyl]pyrimidin-2-one
Molecular Mass 261.172 g·mol−1
Heat of Formation -970.0 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 269.38 Å 3
Surface Area 248.38 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-4-amino-1-((2-hydroxy-1,4,2-dioxaphosphorinan-5-yl)methyl)-2(1h)-pyrimidinone p-oxide
  • 1-((2-hydroxy-2-oxo-1,4,2-dioxaphosphorinan-5-yl)methyl)cytosine
  • 1-[((5)-2-hydroxy-2-oxo-1,4,2-dioxaphosphorinan-5-yl)methyl]cytosine
  • 2(1h)-pyrimidinone, 4-amino-1-((2-hydroxy-1,4,2-dioxaphosphorinan-5-yl)methyl)-, p-oxide, (s)-
  • 4-amino-1-[[(5s)-2-hydroxy-2-keto-1,4-dioxa-2$l^{5}-phosphacyclohex-5-yl]methyl]pyrimidin-2-one
  • 4-amino-1-[[(5s)-2-hydroxy-2-oxo-1,4-dioxa-2$l^{5}-phosphacyclohex-5-yl]methyl]-2-pyrimidinone
  • 4-amino-1-[[(5s)-2-hydroxy-2-oxo-1,4-dioxa-2$l^{5}-phosphacyclohex-5-yl]methyl]pyrimidin-2-one
  • ccdv
  • chpmpc
  • cyclic hpmpc, gs 0930
  • cyclic-1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine
  • cyclic-hpmpc
  • gs 930
CAS Number(s)
  • 127757-45-3
InChIKey YXQUGSXUDFTPLL-LURJTMIESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N