9-({(2E)-4-[(2S,3S,4S,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-Hydroxy-2-Butanyl]-2-Oxiranyl}Methyl)Tetrahydro-2H-Pyran-2-Yl]-3-Methyl-2-Butenoyl}Oxy)Nonanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C26H44O9
IUPAC Name 9-[(e)-4-[(2s,3s,4s,5s)-3,4-dihydroxy-5-[[(2s,3s)-3-[(1s,2s)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoyl]oxynonanoic acid
Molecular Mass 500.622 g·mol−1
Heat of Formation -1820.3 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 634.28 Å 3
Surface Area 562.66 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
InChIKey MINDHVHHQZYEEK-DWJPPWIMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O