Geometry & MOs

Info

ID:	402269
PubChem CID:	135055277
Reduced:	PC11O12H19 (1)
Stoich.:	AB11C12D19 (1)
Weight, g/mol:	376.077063
ΔH_f, kcal/mol:	-558.97
Dipole, Da:	4.36
IP(EA), eV:	-10.48(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations