2-Anthracenecarboxylic acid, 9,10-dihydro-9,10-dioxo-7-(α-D-glucopyranosyl)-1-methyl-3,5,6,8-tetrahydroxy-, sodium salt

ChemSpider ID: 20163332
Molecular Formula: C₂₂H₁₉NaO₁₃
Average mass: 514.368225 Da
Monoisotopic mass: 514.072327 Da
Systematic name

Sodium (1R)-1,5-anhydro-1-(7-carboxylato-1,3,4,6-tetrahydroxy-8-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl)-D-glucitol
SMILES and InChIs

SMILES:

[Na+].O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)c4c(O)c3C(=O)c2c(C)c(C([O-])=O)c(O)cc2C(=O)c3c(O)c4O Copied

Std. InChI:

InChI=1S/C22H20O13.Na/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21;/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34);/q;+1/p-1/t7-,14-,19+,20-,21-;/m1./s1 Copied

Std. InChIKey:

WTQDFYCCGXPQPN-XOHRXBHPSA-M Copied
Cite this record
CSID:20163332, http://www.chemspider.com/Chemical-Structure.20163332.html (accessed 23:15, May 24, 2012) Copied

Names and Identifiers

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