SMILES:
COC(=O)C(OS(=O)(=O)c1ccc(C)cc1)C(O)C1CC1Molecular Processing
Molecular formula
C14H18O6S
Molecular weight
314.36
Exact mass
314.0824
XLogP
1.01
TPSA
89.9
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.98
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→