이름: Monensin sodium salt
SMILES:
CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)[O-])O3)O2)O1.[Na+]Molecular Processing
Molecular formula
C36H61NaO11
Molecular weight
692.86
Exact mass
692.4112
XLogP
-0.06
TPSA
156.2
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
48
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
17
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.972
Molar refractivity
169.67
Supplementary Information
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