Name: (2R,5R)-5-[(1R,2S)-3-(3-chloro-5-fluorophenyl)-1-hydroxy-2-nitropropyl]-2-(2,2-dimethylpropoxy)-morpholine-4-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(Cl)c2)[N+](=O)[O-])CO1Molecular Processing
Molecular formula
C23H34ClFN2O7
Molecular weight
504.98
Exact mass
504.2039
XLogP
4.05
TPSA
111.37
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
123.78
Supplementary Information
Details werden geladen…
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