SMILES:
CC(=O)OC1CCC2C3CCc4cc(OS(C)(=O)=O)cc(OS(C)(=O)=O)c4C3CCC12CMolecular Processing
Molecular formula
C22H30O8S2
Molecular weight
486.61
Exact mass
486.1382
XLogP
3.15
TPSA
113.04
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
117.56
Supplementary Information
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