Name: [(2R)-7-Amino-8-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methyl-benzenesulfonate hydrochloride
SMILES:
Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc(N)c(O)c3O2)cc1.ClMolecular Processing
Molecular formula
C16H18ClNO6S
Molecular weight
387.84
Exact mass
387.0543
XLogP
2.25
TPSA
108.08
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
94
Supplementary Information
Details werden geladen…
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