名称: (2R,5R)-5-[(1S,2S)-2-amino-3-(3-fluoro-5-hydroxy-phenyl)-1-hydroxy-propyl]-2-(2-fluoro-1-fluoromethyl-1-methyl-ethoxy)-morpholine-4-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1C[C@@H](OC(C)(CF)CF)OC[C@@H]1[C@@H](O)[C@@H](N)Cc1cc(O)cc(F)c1Molecular Processing
Molecular formula
C22H33F3N2O6
Molecular weight
478.51
Exact mass
478.2291
XLogP
2.44
TPSA
114.48
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
33
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
0.682
Molar refractivity
113.66
Supplementary Information
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