Название: mupirocin calcium dihydrate
SMILES:
C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.O.O.[Ca+2]Molecular Processing
Molecular formula
C52H90CaO20
Molecular weight
1075.35
Exact mass
1074.5651
XLogP
0.49
TPSA
360.76
H-bond donors
6
H-bond acceptors
18
Rotatable bonds
32
Heavy atoms
73
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
16
Undefined stereo
0
Formal charge
0
Heteroatoms
21
Covalent units
5
Fraction Csp3
0.846
Molar refractivity
265.03
Supplementary Information
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