Nombre: spectinomycin dihydrochloride
SMILES:
CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.ClMolecular Processing
Molecular formula
C14H26Cl2N2O7
Molecular weight
405.28
Exact mass
404.1117
XLogP
-2.08
TPSA
129.51
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
3
Fraction Csp3
0.929
Molar refractivity
90.86
Supplementary Information
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