Название: (1S,5R,6R,7R)-6-(3,3-ethylenedioxyoctyl)-7-hydroxy-2-oxabicyclo[3.3.0]octan-3-one
SMILES:
CCCCCC1(CC[C@@H]2[C@H]3CC(=O)O[C@H]3C[C@H]2O)OCCO1Molecular Processing
Molecular formula
C17H28O5
Molecular weight
312.41
Exact mass
312.1937
XLogP
2.4
TPSA
64.99
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
22
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.941
Molar refractivity
80.11
Supplementary Information
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