이름: (3R,5S)-2-methyl-1-phenylpropan-2-yl 6-bromo-3,5-dihydroxy-hexanoate
SMILES:
CC(C)(Cc1ccccc1)OC(=O)C[C@H](O)C[C@H](O)CBrMolecular Processing
Molecular formula
C16H23BrO4
Molecular weight
359.26
Exact mass
358.078
XLogP
2.45
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
85.36
Supplementary Information
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