(19R)-25-Amino-22-Hydroxy-22-Oxido-16-Oxo-17,21,23-Trioxa-22Lambda~5~-Phosphapentacosan-19-Yl (9S,10S)-9,10-Dibromooctadecanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C39H76Br2NO8P
IUPAC Name [(1r)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] (9s,10s)-9,10-dibromooctadecanoate
Molecular Mass 877.804 g·mol−1
Heat of Formation -2380.0 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 1045.57 Å 3
Surface Area 920.72 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (9s,10s)-9,10-dibromooctadecanoic acid [(1r)-1-[(2-aminoethoxy-hydroxyphosphoryl)oxymethyl]-2-(1-oxohexadecoxy)ethyl] ester
  • (9s,10s)-9,10-dibromostearic acid [(1r)-1-[(2-aminoethoxy-hydroxy-phosphoryl)oxymethyl]-2-hexadecanoyloxy-ethyl] ester
  • [(1r)-1-[(2-aminoethoxy-hydroxy-phosphoryl)oxymethyl]-2-hexadecanoyloxy-ethyl] (9s,10s)-9,10-dibromooctadecanoate
  • [(2r)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-hexadecanoyloxy-propan-2-yl] (9s,10s)-9,10-dibromooctadecanoate
  • [(2r)-1-(2-aminoethoxy-hydroxyphosphoryl)oxy-3-hexadecanoyloxypropan-2-yl] (9s,10s)-9,10-dibromooctadecanoate
  • pew
InChIKey DQMAEWCVUIFGMB-BOALQFNTSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P Br