Geometry & MOs

Info

ID:

145217

PubChem CID:

53480375

Reduced:

P2O17C79H142 (1)

Stoich.:

A2B17C79D142 (1)

Weight, g/mol:

1453.003527

ΔHf, kcal/mol:

-1069.16

Dipole, Da:

5.33

IP(EA), eV:

 -9.08(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-3-[[3-[[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O)OC(=O)CCCCCCC/C=C\CCCCCC

DOS

IR

Vibrations