Geometry & MOs

Info

ID:

141788

PubChem CID:

52927893

Reduced:

PO13C48H85 (1)

Stoich.:

AB13C48D85 (1)

Weight, g/mol:

834.52583

ΔHf, kcal/mol:

-736.63

Dipole, Da:

4.45

IP(EA), eV:

 -9.38(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-dodecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

DOS

IR

Vibrations