CCCCCC(C)(C)C(O)/C=C/[C@@H]1C(SCCCCCC(=O)OC)=C(OC(=O)CCC)C[C@H]1O
SMILES: CCCCCC(C)(C)C(O)/C=C/[C@@H]1C(SCCCCCC(=O)OC)=C(OC(=O)CCC)C[C@H]1O

Molecular Processing

Molecular formula
C27H46O6S
Molecular weight
498.73
Exact mass
498.3015
XLogP
5.91
TPSA
93.06
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
34
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
138.15

Supplementary Information

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