Geometry & MOs

Info

ID:

15368

PubChem CID:

439762

Reduced:

PC12O14H23 (1)

Stoich.:

AB12C14D23 (1)

Weight, g/mol:

422.082542

ΔHf, kcal/mol:

-694.31

Dipole, Da:

1.47

IP(EA), eV:

 -10.66(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO)O)O)O)O

DOS

IR

Vibrations