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28098-92-2

28098-92-2 structural image
Product Name: 2-KETOGLUCONIC ACID CALCIUM SALT
Formula: C12H18CaO14
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COMPUTED DESCRIPTORS

Molecular Weight 426.34 g/mol
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 8
Exact Mass 426.0322461 g/mol
Monoisotopic Mass 426.0322461 g/mol
Topological Polar Surface Area 276 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 196
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes