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Calcium bis(D-galacturonate)

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Name

Calcium bis(D-galacturonate)

EINECS 301-984-7
CAS No. 94087-89-5 Density N/A
PSA 276.24000 LogP -9.24240
Solubility N/A Melting Point N/A
Formula C12H18CaO14 Boiling Point N/A
Molecular Weight 426.34092 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 94087-89-5 (calcium bis[D-galacturonate]) Hazard Symbols N/A
Synonyms

calcium bis[D-galacturonate];Bis(D-galacturonic acid)calcium salt

 

Calcium bis(D-galacturonate) Specification

The Calcium bis(D-galacturonate) is an organic compound with the formula C12H18CaO14. The IUPAC name of this chemical is calcium (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate. With the CAS registry number 94087-89-5, it is also named as Calcium polygalacturonate.

You can still convert the following datas into molecular structure:
(1)SMILES: C(=O)C(C(C(C(C(=O)[O-])O)O)O)O.C(=O)C(C(C(C(C(=O)[O-])O)O)O)O.[Ca+2]
(2)InChI: InChI=1/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2/t2*2-,3+,4+,5-;/m00./s1
(3)InChIKey: ILJIJWPWFKABMW-ZZKAOGEMBQ
(4)Std. InChI: InChI=1S/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2/t2*2-,3+,4+,5-;/m00./s1
(5)Std. InChIKey: ILJIJWPWFKABMW-PDCYBDDKSA-L

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