4-Nitrobenzyl (2S)-2-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)-6-Oxohexanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H18N2O7
IUPAC Name (4-nitrophenyl)methyl (2s)-2-(1,3-dioxoisoindolin-2-yl)-6-oxo-hexanoate
Molecular Mass 410.377 g·mol−1
Heat of Formation -615.8 ± 16.7 kJ·mol−1
Dipole Moment 8.15 ± 1.08 D
Volume 465.99 Å 3
Surface Area 413.85 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(1,3-diketoisoindolin-2-yl)-6-keto-hexanoic acid (4-nitrobenzyl) ester
  • (2s)-2-(1,3-dioxo-2-isoindolinyl)-6-oxohexanoic acid (4-nitrophenyl)methyl ester
  • (4-nitrophenyl)methyl (2s)-2-(1,3-dioxoisoindol-2-yl)-6-oxo-hexanoate
  • (4-nitrophenyl)methyl (2s)-2-(1,3-dioxoisoindol-2-yl)-6-oxohexanoate
  • (4-nitrophenyl)methyl (2s)-2-(1,3-dioxoisoindolin-2-yl)-6-oxo-hexanoate
  • ph-all-nbe
  • phthalyl-allysine-4-nitrobenzyl ester
CAS Number(s)
  • 121145-63-9
InChIKey ZGQURRYRRUOFFU-SFHVURJKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N