SMILES:
O=C(CCCCCCC1=C[C@H](OC2CCCCO2)CC1=O)OC1CCCCO1Molecular Processing
Molecular formula
C22H34O6
Molecular weight
394.51
Exact mass
394.2355
XLogP
4.21
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
28
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
103.56
Supplementary Information
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