Geometry & MOs

Info

ID:

141794

PubChem CID:

52928466

Reduced:

PO12C47H93 (1)

Stoich.:

AB12C47D93 (1)

Weight, g/mol:

878.624815

ΔHf, kcal/mol:

-777.35

Dipole, Da:

1.45

IP(EA), eV:

 -9.75(0.23)

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] (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations