Disodium hydrogen 3,5-disulfonatobenzoate - CAS 19089-55-5
Catalog number: 19089-55-5
Category: Main Product
Molecular Formula:
C7H4Na2O8S2
Molecular Weight:
326.21
COA:
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Purity:
95%
Synonyms:
Disodium hydrogen 3,5-disulfonatobenzoate; 3,5-Disulfobenzoic acid, disodium salt
MSDS:
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Quantity:
Data not available, please inquire.
Melting Point:
>350ºC(lit.)
Density:
g/cm3
InChIKey:
NCBDBWXOBUXRIC-UHFFFAOYSA-L
InChI:
InChI=1S/C7H6O8S2.2Na/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15;;/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15);;/q;2*+1/p-2
Canonical SMILES:
C1=C(C=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)O.[Na+].[Na+]
1.A co-crystal of nona-hydrated disodium(II) with mixed anions from m-chloro-benzoic acid and furosemide.
London BK1, Claville MO2, Babu S2, Fronczek FR3, Uppu RM1. Acta Crystallogr E Crystallogr Commun. 2015 Sep 30;71(Pt 10):1266-9. doi: 10.1107/S2056989015017430. eCollection 2015.
In the title compound, [Na2(H2O)9](C7H4ClO2)(C12H10ClN2O5S) {systematic name: catena-poly[[[triaquasodium(I)]-di-μ-aqua-[triaquasodium(I)]-μ-aqua] 3-chlorobenzoate 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoate]}, both the original m-chloro-benzoic acid and furosemide exist with deprotonated carboxyl-ates, and the sodium cations and water mol-ecules exist in chains with stoichiometry [Na2(OH2)9](2+) that propagate in the [-110] direction. Each of the two independent Na(+) ions is coordinated by three monodentate water mol-ecules, two double-water bridges, and one single-water bridge. There is considerable cross-linking between the [Na2(OH2)9](2+) chains and to furosemide sulfonamide and carboxyl-ate by inter-molecular O-H⋯O hydrogen bonds. All hydrogen-bond donors participate in a complex two-dimensional array parallel to the ab plane. The furosemide NH group donates an intra-molecular hydrogen bond to the carboxyl-ate group, and the furosemide NH2 group donates an intra-molecular hydrogen bond to the Cl atom and an inter-molecular one to the m-chloro-benzoate O atom.
2.Direct and simultaneous quantification of ATP, ADP and AMP by (1)H and (31)P Nuclear Magnetic Resonance spectroscopy.
Lian Y1, Jiang H2, Feng J2, Wang X1, Hou X3, Deng P4. Talanta. 2016 Apr 1;150:485-92. doi: 10.1016/j.talanta.2015.12.051. Epub 2015 Dec 20.
ATP, ADP and AMP are energy substances with vital biological significance. Based on the structural differences, a simple, rapid and comprehensive method has been established by (1)H and (31)P Nuclear Magnetic Resonance ((1)H-NMR and (31)P-NMR) spectroscopies. Sodium 3-(trimethylsilyl) propionate-2,2,3,3-d4 (TMSP) and anhydrous disodium hydrogen phosphate (Na2HPO4) were selected as internal standards for (1)H-NMR and (31)P-NMR, respectively. Those three compounds and corresponding internal standards can be easily distinguished both by (1)H-NMR and (31)P-NMR. In addition, they all have perfect linearity in a certain range: 0.1-100mM for (1)H-NMR and 1-75mM for (31)P-NMR. To validate the precision of this method, mixed samples of different concentrations were measured. Recovery experiments were conducted in serum (91-113% by (1)H-NMR and 89-113% by (31)P-NMR).
3.Effects of phosphate addition on methane fermentation in the batch and upflow anaerobic sludge blanket (UASB) reactors.
Suzuki S1, Shintani M1, Sanchez ZK1, Kimura K1, Numata M2, Yamazoe A2, Kimbara K3. Appl Microbiol Biotechnol. 2015 Dec;99(24):10457-66. doi: 10.1007/s00253-015-6942-1. Epub 2015 Sep 9.
Ammonia inhibition of methane fermentation is one of the leading causes of failure of anaerobic digestion reactors. In a batch anaerobic digestion reactor with 429 mM NH3-N/L of ammonia, the addition of 25 mM phosphate resulted in an increase in methane production rate. Similar results were obtained with the addition of disodium phosphate in continuous anaerobic digestion using an upflow anaerobic sludge blanket (UASB) reactor. While methane content and production rate decreased in the presence of more than 143 mM NH3-N/L of ammonium chloride in UASB, the addition of 5 mM disodium phosphate suppressed ammonia inhibition at 214 mM NH3-N/L of ammonium chloride. The addition prevented acetate/propionate accumulation, which might be one of the effects of the phosphate on the ammonia inhibition. The effects on the microbial community in the UASB reactor was also assessed, which was composed of Bacteria involved in hydrolysis, acidogenesis, acetogenesis, and dehydrogenation, as well as Archaea carrying out methanogenesis.
4.Redox cycling and generation of reactive oxygen species in commercial infant formulas.
Boatright WL1, Crum AD2. Food Chem. 2016 Apr 1;196:189-95. doi: 10.1016/j.foodchem.2015.08.130. Epub 2015 Sep 5.
Three nationally prominent commercial powdered infant formulas generated hydrogen peroxide, ranging from 10.46 to 11.62 μM, when prepared according to the manufacturer's instructions. Treating infant formulas with the chelating agent diethylene triamine pentaacetic acid (DTPA) significantly reduced H2O2 generation. In contrast, the addition of disodium ethylenediaminetetraacetic acid (EDTA) elevated the level of H2O2 generated in the same infant formulas by approximately 3- to 4-fold above the untreated infant formulas. The infant formulas contained ascorbate radicals ranging from about 138 nM to 40 nM. Treatment with catalase reduced the ascorbate radical contents by as much as 67%. Treatment with DTPA further reduced ascorbate radical signals to below quantifiable levels in most samples, further implicating the involvement of transition metal redox cycling in reactive oxygen species (ROS) formation. Supportive evidence of the generation of ROS is provided using luminol-enhanced luminescence (LEL) in both model mixtures of ascorbic acid and in commercial infant formulas.
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CAS 19089-55-5 Disodium hydrogen 3,5-disulfonatobenzoate

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