Geometry & MOs

Info

ID:	175857
PubChem CID:	75960638
Reduced:	PO13C47H83 (1)
Stoich.:	AB13C47D83 (1)
Weight, g/mol:	934.65103
ΔH_f, kcal/mol:	-737.11
Dipole, Da:	5.43
IP(EA), eV:	-9.45(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-icos-11-enoyloxypropan-2-yl] henicosanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations