CCCCOC(=O)CCCCCSC1=C(OC(=O)CCC)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C[C@H](C)CCCC
SMILES: CCCCOC(=O)CCCCCSC1=C(OC(=O)CCC)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C[C@H](C)CCCC

Molecular Processing

Molecular formula
C29H50O6S
Molecular weight
526.78
Exact mass
526.3328
XLogP
6.69
TPSA
93.06
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
20
Heavy atoms
36
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.793
Molar refractivity
147.39

Supplementary Information

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