الاسم: acetic acid 1-acetoxymethyl-2-[3-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-5-isocyanato-benzoylamino]-ethyl ester
SMILES:
CC(=O)OCC(CNC(=O)c1c(I)c(N=C=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I)OC(C)=OMolecular Processing
Molecular formula
C23H24I3N3O11
Molecular weight
899.17
Exact mass
898.8545
XLogP
1.92
TPSA
192.83
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
13
Heavy atoms
40
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
161.41
Supplementary Information
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