1,5-Anhydro-2,3-Dideoxy-2-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-6-O-Phosphono-D-Arabino-Hexitol

Molecule SVG Image

Properties Simple | Detailed

Formula C11H17N2O8P
IUPAC Name [(2r,3s,5s)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 336.235 g·mol−1
Heat of Formation -1746.0 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 354.99 Å 3
Surface Area 314.89 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5s)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydropyranyl]methyl dihydrogen phosphate
  • [(2r,3s,5s)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5s)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5s)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5s)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
  • phosphoric acid, mono-[3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-pyran-2-ylmethyl] ester
InChIKey CCUHDSVZYOGFIW-XHNCKOQMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N