Geometry & MOs

Info

ID:

141790

PubChem CID:

52928404

Reduced:

PO13C53H79 (1)

Stoich.:

AB13C53D79 (1)

Weight, g/mol:

754.499615

ΔHf, kcal/mol:

-573.36

Dipole, Da:

5.2

IP(EA), eV:

-9.35(-0.24)

Spin(Sz, 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] tridecanoate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

DOS

IR

Vibrations