CAS
95873-58-8 Purity
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95873-58-8 Purity
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Specification
The molecular formula is C13H24CaO15.
The molecular weight is 460.40 g/mol.
The synonyms include EINECS 306-052-3 and 95873-62-4.
The IUPAC name was computed by LexiChem 2.6.6.
The InChIKey is DDYVHXDTXYNJGW-SQNVVNJUSA-L.
The Canonical SMILES is C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2].
There are 11 hydrogen bond donor counts.
Yes, the compound is canonicalized.
The topological polar surface area is 303 Ų.
There are 9 defined atom stereocenter counts.