SMILES:
CC12CCC3c4c(cc(OS(C)(=O)=O)cc4OS(C)(=O)=O)CCC3C1CCC2OMolecular Processing
Molecular formula
C20H28O7S2
Molecular weight
444.57
Exact mass
444.1276
XLogP
2.58
TPSA
106.97
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
108.01
Supplementary Information
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