Geometry & MOs

Info

ID:

26302

PubChem CID:

643960

Reduced:

P3O19C41H81 (1)

Stoich.:

A3B19C41D81 (1)

Weight, g/mol:

970.458491

ΔHf, kcal/mol:

-1191.39

Dipole, Da:

4.56

IP(EA), eV:

 -10.32(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl]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)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations