(2S)-1-[(1S,2S)-2-{(S)-Hydroxy[(2R)-6-Oxo-3,6-Dihydro-2H-Pyran-2-Yl]Methyl}Cyclopropyl]-1-Oxo-2-Propanyl (2E)-3-(4-Methoxyphenyl)Acrylate

Molecule SVG Image

Properties Simple | Detailed

Formula C22H24O7
IUPAC Name [(1s)-2-[(1s,2s)-2-[(s)-hydroxy-[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-methyl-2-oxo-ethyl] (e)-3-(4-methoxyphenyl)prop-2-enoate
Molecular Mass 400.422 g·mol−1
Heat of Formation -919.8 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 476.45 Å 3
Surface Area 426.24 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
InChIKey XGNLXIVLBLLTIG-FMRMVBGOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O