الاسم: ( a )
SMILES:
CN(CC(=O)c1ccc(OCC(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)c1)C(=O)[C@H]1CC[C@H](C#N)CC1Molecular Processing
Molecular formula
C29H40N2O8
Molecular weight
544.65
Exact mass
544.2785
XLogP
4.1
TPSA
132.23
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
39
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.621
Molar refractivity
142.15
Supplementary Information
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