{3-[(4-Benzoyl-1-Piperazinyl)(Oxo)Acetyl]-4,7-Dimethoxy-1H-Pyrrolo[2,3-C]Pyridin-1-Yl}Methyl Dihydrogen Phosphate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H25N4O9P
IUPAC Name [3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4,7-dimethoxy-pyrrolo[2,3-c]pyridin-1-ium-1-yl]methyl dihydrogen phosphate
Molecular Mass 532.440 g·mol−1
Heat of Formation -1517.2 ± 16.7 kJ·mol−1
Dipole Moment 8.23 ± 1.08 D
Volume 581.62 Å 3
Surface Area 428.55 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • [3-[1,2-dioxo-2-[4-(oxo-phenylmethyl)-1-piperazinyl]ethyl]-4,7-dimethoxy-1-pyrrolo[2,3-c]pyridinyl]methyl dihydrogen phosphate
  • [3-[2-[4-(benzoyl)piperazin-1-yl]-2-keto-acetyl]-4,7-dimethoxy-pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
  • [3-[2-[4-(benzoyl)piperazin-1-yl]-2-oxo-acetyl]-4,7-dimethoxy-pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
  • [3-[2-[4-(benzoyl)piperazin-1-yl]-2-oxoacetyl]-4,7-dimethoxypyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
  • [4,7-dimethoxy-3-[2-oxo-2-(4-phenylcarbonylpiperazin-1-yl)ethanoyl]pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
InChIKey XRPBBDPLUJBGJD-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N