Geometry & MOs

Info

ID:

141795

PubChem CID:

52928467

Reduced:

PO12C47H91 (1)

Stoich.:

AB12C47D91 (1)

Weight, g/mol:

876.609165

ΔHf, kcal/mol:

-745.07

Dipole, Da:

5.09

IP(EA), eV:

 -9.61(-0.24)

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-icosoxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations