이름: 6-(5-cholesten-3β-yloxy)hexyl iodide
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCCCCCI)CC[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C33H57IO
Molecular weight
596.72
Exact mass
596.3454
XLogP
10.41
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
12
Heavy atoms
35
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.939
Molar refractivity
160.14
Supplementary Information
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