Geometry & MOs

Info

ID:	141791
PubChem CID:	52928417
Reduced:	PO12C38H75 (1)
Stoich.:	AB12C38D75 (1)
Weight, g/mol:	768.515265
ΔH_f, kcal/mol:	-734.7
Dipole, Da:	2.53
IP(EA), eV:	-10.01(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] tetradecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCC

DOS

IR

Vibrations