SMILES:
O=C1C[C@H](C2OCCO2)[C@@H](COC2CCCCO2)O1Molecular Processing
Molecular formula
C13H20O6
Molecular weight
272.3
Exact mass
272.126
XLogP
0.83
TPSA
63.22
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
19
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
63.22
Supplementary Information
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