Name: N4,N7,N10 -Triscarboxymethyl-1,13-bisbenzyloxy-5,9-bisbenzyloxymethyl-4,7,10-triazatridecane
SMILES:
O=C(O)CN(CC(COCc1ccccc1)N(CCCOCc1ccccc1)CC(=O)O)CC(COCc1ccccc1)N(CCCOCc1ccccc1)CC(=O)OMolecular Processing
Molecular formula
C46H59N3O10
Molecular weight
813.99
Exact mass
813.42
XLogP
5.53
TPSA
158.54
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
32
Heavy atoms
59
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.413
Molar refractivity
223.7
Supplementary Information
Details werden geladen…
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