Geometry & MOs

Info

ID:

43309

PubChem CID:

10321104

Reduced:

P2Na4C7H12O12 (1)

Stoich.:

A2B4C7D12E12 (1)

Weight, g/mol:

354.0117

ΔHf, kcal/mol:

-860.44

Dipole, Da:

1.55

IP(EA), eV:

 -8.63(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-methoxy-3-phosphonooxyoxan-4-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations