94087-85-1 Purity
96%
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Specification
The molecular formula is C12H18CaO14.
It was created on 2007-12-05 and last modified on 2023-12-30.
The molecular weight is 426.34 g/mol.
The synonyms are Calcium bis(D-galacturonate), EINECS 301-984-7, 94087-89-5, and D-Galacturonic acid calcium salt.
The component compounds are Calcium (CID 5460341) and (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid (CID 84740).
The IUPAC Name is calcium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate.
The InChIKey is ILJIJWPWFKABMW-PDCYBDDKSA-L.
The CAS number is 94087-89-5.
It has 8 hydrogen bond donor count.
The topological polar surface area is 276 Å2.