Geometry & MOs

Info

ID:

175856

PubChem CID:

75960637

Reduced:

PO13C47H85 (1)

Stoich.:

AB13C47D85 (1)

Weight, g/mol:

886.55713

ΔHf, kcal/mol:

-758.04

Dipole, Da:

5.24

IP(EA), eV:

 -9.45(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octadec-9-enoyloxypropan-2-yl] icosa-8,11,14-trienoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCC=CCC=CCCCCC

DOS

IR

Vibrations