sodium D-glucoheptanoate

ChemSpider ID: 17215458
Molecular Formula: C₇H₁₃NaO₈
Average mass: 248.163101 Da
Monoisotopic mass: 248.050812 Da
Systematic name

Sodium (2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoate
SMILES and InChIs

SMILES:

[Na+].O[C@@H]([C@H](O)[C@@H](O)C([O-])=O)[C@H](O)C(O)CO Copied

Std. InChI:

InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2?,3-,4-,5+,6-;/m1./s1 Copied

Std. InChIKey:

FMYOMWCQJXWGEN-LEHRSQHZSA-M Copied
Cite this record
CSID:17215458, http://www.chemspider.com/Chemical-Structure.17215458.html (accessed 11:54, May 24, 2012) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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