Name: tetraethyl 6-methoxy-2-naphthylthiomethanediphosphonate
SMILES:
CCOP(=O)(OCC)C(c1ccc2cc(OC)ccc2c1)P(=S)(OCC)OCCMolecular Processing
Molecular formula
C20H30O6P2S
Molecular weight
460.47
Exact mass
460.1238
XLogP
6.5
TPSA
63.22
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
121.64
Supplementary Information
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