Name: TFA
SMILES:
CCC(=O)O[C@]1(C(=O)C(O)OC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21CMolecular Processing
Molecular formula
C46H68N4O13
Molecular weight
885.06
Exact mass
884.4783
XLogP
3.18
TPSA
244.04
H-bond donors
5
H-bond acceptors
13
Rotatable bonds
13
Heavy atoms
63
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
13
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.739
Molar refractivity
226.71
Supplementary Information
Details werden geladen…
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