Nombre: α-cyclodextrin
SMILES:
OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3COMolecular Processing
Molecular formula
C36H60O30
Molecular weight
972.85
Exact mass
972.3169
XLogP
-13.05
TPSA
474.9
H-bond donors
18
H-bond acceptors
30
Rotatable bonds
6
Heavy atoms
66
Rings
22
Aromatic rings
0
Saturated rings
22
Aliphatic rings
22
Stereo centers
30
Undefined stereo
0
Formal charge
0
Heteroatoms
30
Covalent units
1
Fraction Csp3
1
Molar refractivity
195.8
Supplementary Information
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