(4Z)-6-[(2S,4S,5R)-2-[2-(4-Methyl-2-Nitrophenoxy)-2-Propanyl]-4-(3-Pyridinyl)-1,3-Dioxan-5-Yl]-4-Hexenoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C23H15N2O7
IUPAC Name methylidyne-[4-[2-[1-[(2-nitrophenoxy)methyl]vinyl]-5-penta-1,3-diynyl-4h-1,3-dioxin-4-yl]buta-1,3-diynyl]ammonium; molecular oxygen
Molecular Mass 431.374 g·mol−1
Heat of Formation -771.6 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 560.56 Å 3
Surface Area 423.53 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-6-[(2s,4s,5r)-2-[1-methyl-1-(4-methyl-2-nitro-phenoxy)ethyl]-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid
  • (z)-6-[(2s,4s,5r)-2-[1-methyl-1-(4-methyl-2-nitrophenoxy)ethyl]-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid
  • (z)-6-[(2s,4s,5r)-2-[2-(4-methyl-2-nitro-phenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
  • (z)-6-[(2s,4s,5r)-2-[2-(4-methyl-2-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
  • 4-hexenoic acid, 6-(2-(1-methyl-1-(4-methyl-2-nitrophenoxy)ethyl)-4-(3-pyridinyl)-1,3-dioxan-5-yl)-, (2s-(2alpha,4alpha,5alpha(z)))-
  • 6-(2-(1-methyl-1-(2-nitro-4-tolyloxy)ethyl)-4-(3-pyridyl)-1,3-dioxan-5-yl)hex-4-enoic acid
  • d 1542
  • d1542
  • ici d1542
  • ici-d1542
  • zd 1542
CAS Number(s)
  • 147332-48-7
InChIKey VGBBXLWOWUXXFE-GWLGBLMRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N