Name: (2S,4R)-4-(toluene-4-sulfonyloxy)-pyrrolidine-1,2-dicarboxylic acid-1-tert-butyl ester-2-ethyl ester
SMILES:
CCOC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C19H27NO7S
Molecular weight
413.49
Exact mass
413.1508
XLogP
2.64
TPSA
99.21
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
101.22
Supplementary Information
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Involved in 4 reactions→