Geometry & MOs

Info

ID:

125822

PubChem CID:

50940641

Reduced:

SP2Na5C6H9O15 (1)

Stoich.:

AB2C5D6E9F15 (1)

Weight, g/mol:

419.952865

ΔHf, kcal/mol:

-1034.28

Dipole, Da:

17.94

IP(EA), eV:

 -8.73(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4-phosphonooxy-6-sulfooxycyclohexyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)([O-])[O-])O)OS(=O)(=O)[O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations