SMILES:
CC(=O)S[C@@H]1CO[C@@H](COP(=O)(O)OCC[n+]2ccccc2)C1.[OH-]Molecular Processing
Molecular formula
C14H22NO7PS
Molecular weight
379.37
Exact mass
379.0855
XLogP
1.37
TPSA
115.94
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.571
Molar refractivity
86.72
Supplementary Information
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