Geometry & MOs

Info

ID:

26303

PubChem CID:

643961

Reduced:

P3O19C41H81 (1)

Stoich.:

A3B19C41D81 (1)

Weight, g/mol:

890.49216

ΔHf, kcal/mol:

-1179.2

Dipole, Da:

2.08

IP(EA), eV:

 -10.38(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations