SMILES:
CCc1c(CP(=O)([O-])[O-])cc(C(C)(C)C)c(O)c1C(C)(C)C.CCc1c(CP(=O)([O-])[O-])cc(C(C)(C)C)c(O)c1C(C)(C)C.[Ba+2].[Ba+2]Molecular Processing
Molecular formula
C34H54Ba2O8P2
Molecular weight
927.4
Exact mass
928.1399
XLogP
5.17
TPSA
166.84
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
46
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
4
Fraction Csp3
0.647
Molar refractivity
183.9
Supplementary Information
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