SMILES:
CC(=O)OCC1OC(OC(C)=O)C(N=C=S)C(OC(C)=O)C1OC(C)=OMolecular Processing
Molecular formula
C15H19NO9S
Molecular weight
389.38
Exact mass
389.0781
XLogP
0.17
TPSA
126.79
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
26
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
86.98
Supplementary Information
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