Geometry & MOs

Info

ID:

141796

PubChem CID:

52928468

Reduced:

PO12C47H89 (1)

Stoich.:

AB12C47D89 (1)

Weight, g/mol:

904.640465

ΔHf, kcal/mol:

-730.02

Dipole, Da:

1.27

IP(EA), eV:

 -9.46(0.21)

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] (11Z,14Z)-icosa-11,14-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\C/C=C\CCCCC

DOS

IR

Vibrations