CC(=O)N(CC(O)CC1(O)CC(CO)OC(CN(C(C)=O)c2c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c2I)C1)c1c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c1I
SMILES: CC(=O)N(CC(O)CC1(O)CC(CO)OC(CN(C(C)=O)c2c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c2I)C1)c1c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c1I

Molecular Processing

Molecular formula
C46H64I6N6O18
Molecular weight
1750.47
Exact mass
1749.8545
XLogP
-0.55
TPSA
353.62
H-bond donors
11
H-bond acceptors
18
Rotatable bonds
29
Heavy atoms
76
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
30
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
326.09

Supplementary Information

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