[[(2S,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Amino] Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C8H13N4O8P
IUPAC Name [[(2s,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]amino] dihydrogen phosphate
Molecular Mass 324.185 g·mol−1
Heat of Formation -1505.3 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 321.87 Å 3
Surface Area 290.69 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-triazin-2(1h)-one, 4-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)-
  • 5'-azacytidine 5'-monophosphate
  • [[(2s,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]amino] dihydrogen phosphate
  • [[(2s,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]amino] dihydrogen phosphate
  • [[(2s,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]amino] dihydrogen phosphate
  • [[(2s,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]amino] dihydrogen phosphate
CAS Number(s)
  • 2226-72-4
InChIKey BQAIGNPMSFSACN-BNHYGAARSA-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