Name: ( 2 )
SMILES:
C=CCCC/C=C/C=C\CCCCCCCC[C@H]1CC[C@@H]([C@H]2CC[C@@H](CC(=O)O)OO2)O1Molecular Processing
Molecular formula
C27H44O5
Molecular weight
448.64
Exact mass
448.3189
XLogP
7.08
TPSA
64.99
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
17
Heavy atoms
32
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.741
Molar refractivity
128.39
Supplementary Information
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