名称: (R)-3-[(2-bromo-1-oxoocty)oxy]tetradecanoic acid phenyl ester
SMILES:
CCCCCCCCCCC[C@H](CC(=O)Oc1ccccc1)OC(=O)C(Br)CCCCCCMolecular Processing
Molecular formula
C28H45BrO4
Molecular weight
525.57
Exact mass
524.2501
XLogP
8.55
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
20
Heavy atoms
33
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
139.89
Supplementary Information
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