Name: 7-Amino-3-cephem-3ol-4-carboxylic acid benzhydryl ester p-toluenesulfonate salt
SMILES:
Cc1ccc(S(=O)(=O)O)cc1.NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(O)CS[C@H]12Molecular Processing
Molecular formula
C27H26N2O7S2
Molecular weight
554.65
Exact mass
554.1181
XLogP
3.57
TPSA
147.23
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.185
Molar refractivity
142.53
Supplementary Information
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