Geometry & MOs

Info

ID:

26304

PubChem CID:

643964

Reduced:

P2O16C41H80 (1)

Stoich.:

A2B16C41D80 (1)

Weight, g/mol:

890.49216

ΔHf, kcal/mol:

-991.87

Dipole, Da:

8.45

IP(EA), eV:

 -10.51(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations