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CAS No.: | 94087-89-5 |
---|---|
Name: | calcium bis[D-galacturonate] |
Molecular Structure: | |
Formula: | C12H18CaO14 |
Molecular Weight: | 426.34092 |
Synonyms: | calcium bis[D-galacturonate];Bis(D-galacturonic acid)calcium salt |
EINECS: | 301-984-7 |
PSA: | 276.24000 |
LogP: | -9.24240 |
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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