Geometry & MOs

Info

ID:	141793
PubChem CID:	52928419
Reduced:	PO12C39H75 (1)
Stoich.:	AB12C39D75 (1)
Weight, g/mol:	880.640465
ΔH_f, kcal/mol:	-718.22
Dipole, Da:	8.95
IP(EA), eV:	-9.74(-0.22)
Spin(S_z, 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] octadecanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations