Geometry & MOs

Info

ID:

141787

PubChem CID:

52927873

Reduced:

PO13C49H85 (1)

Stoich.:

AB13C49D85 (1)

Weight, g/mol:

900.57278

ΔHf, kcal/mol:

-699.65

Dipole, Da:

11.6

IP(EA), eV:

 -9.28(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-nonadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

Drug info:

PubChemData

Smile

CCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O

DOS

IR

Vibrations