SMILES:
O=C([O-])CC(O)C(=O)OO.O=C([O-])CC(O)C(=O)OO.O=C([O-])CC(O)C(=O)OO.O=C([O-])CC(O)C(=O)OO.[Ca+2].[Ca+2]Molecular Processing
Molecular formula
C16H20Ca2O24
Molecular weight
676.47
Exact mass
675.9596
XLogP
-10.75
TPSA
427.56
H-bond donors
8
H-bond acceptors
24
Rotatable bonds
12
Heavy atoms
42
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
26
Covalent units
6
Fraction Csp3
0.5
Molar refractivity
108.91
Supplementary Information
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