名称: ethyl 8-(2-hydroxyethylthio)-12 -acetoxyheptadecanoate
SMILES:
CCCCCC(CCCC(CCCCCCC(=O)OCC)SCCO)OC(C)=OMolecular Processing
Molecular formula
C23H44O5S
Molecular weight
432.67
Exact mass
432.2909
XLogP
5.67
TPSA
72.83
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
20
Heavy atoms
29
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.913
Molar refractivity
121.21
Supplementary Information
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