SMILES:
CC(=O)N(CC(O)COCCOCC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1IMolecular Processing
Molecular formula
C40H54I6N6O18
Molecular weight
1668.32
Exact mass
1667.7763
XLogP
-2.19
TPSA
377.78
H-bond donors
14
H-bond acceptors
18
Rotatable bonds
29
Heavy atoms
70
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
30
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
300.59
Supplementary Information
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