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116778-73-5

116778-73-5 structural image
Product Name: inositol 1,4-bisphosphate 5-phosphorothioate
Formula: C6H15O14P3S
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COMPUTED DESCRIPTORS

Molecular Weight 436.16 g/mol
XLogP3 -5.3
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 6
Exact Mass 435.93953731 g/mol
Monoisotopic Mass 435.93953731 g/mol
Topological Polar Surface Area 276 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 579
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes