CC(=O)OC1CSC(Oc2cncc(S(=O)(=O)c3ccccc3)c2)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OC1CSC(Oc2cncc(S(=O)(=O)c3ccccc3)c2)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C22H23NO9S2
Molecular weight
509.56
Exact mass
509.0814
XLogP
2.16
TPSA
135.16
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
119.67

Supplementary Information

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