(19R,25R)-22,25,26-Trihydroxy-22-Oxido-16-Oxo-17,21,23-Trioxa-22Lambda~5~-Phosphahexacosan-19-Yl (9S,10S)-9,10-Dibromooctadecanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C40H77Br2O10P
IUPAC Name [(1r)-1-[[[(2r)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] (9s,10s)-9,10-dibromooctadecanoate
Molecular Mass 908.815 g·mol−1
Heat of Formation -2829.0 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 1065.88 Å 3
Surface Area 912.4 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (9s,10s)-9,10-dibromooctadecanoic acid [(1r)-1-[[[(2r)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxymethyl]-2-(1-oxohexadecoxy)ethyl] ester
  • (9s,10s)-9,10-dibromostearic acid [(1r)-1-[(glyceryloxy-hydroxy-phosphoryl)oxymethyl]-2-hexadecanoyloxy-ethyl] ester
  • [(1r)-1-[[[(2r)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] (9s,10s)-9,10-dibromooctadecanoate
  • [(2r)-1-[[(2r)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (9s,10s)-9,10-dibromooctadecanoate
  • [(2r)-1-[[(2r)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (9s,10s)-9,10-dibromooctadecanoate
  • pgk
InChIKey SZYLEOPJERUXOZ-RNATXAOGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O Br H