D-erythro-Hex-2-enonicacid, g-lactone, sodium salt, hydrate (1:1:1)

Product Information

Molecular Formula:
C6H8 O6 . H2 O . Na
Molecular Weight:
216.12
Description
antioxidant
Synonyms
SODIUM ISOASCORBATE MONOHYDRATE; SODIUM ERYTHORBATE MONOHYDRATE; SODIUM D-ISOASCORBATE,MONOHYDRATE; SODIUM D-ARABOASCORBATE MONOHYDRATE; ISOASCORBIC ACID SODIUM SALT MONOHYDRATE; D-(+)-ISOASCORBIC ACID, SODIUM SALT MONOHYDRATE; D-ISOASCORBIC ACID, SODIUM SALT
IUPAC Name
sodium(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-olatehydrate
Canonical SMILES
C(C(C1C(=C(C(=O)O1)[O-])O)O)O.O.[Na+]
InChI
InChI=1S/C6H8O6.Na.H2O/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H21H2/q+1/p-1/t2-,5-/m1../s1
InChI Key
NKESWEQTVZVSSF-DMWQRSMXSA-M
Boiling Point
177-179 °C/3 mmHg(lit.)
Melting Point
309 to 327 °F (decomposes)
Flash Point
235.4 °F
Purity
N/A
Density
1.2
Solubility
greater than or equal to 100 mg/mL at 64 °F
Appearance
(wet)
Application
Used as preservative and meat curing agent; Used as antioxidant.
Refractive Index
n20/D 1.542 (lit.)

Computed Properties

Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
216.02459690 g/mol
Monoisotopic Mass
216.02459690 g/mol
Topological Polar Surface Area
111Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
237
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes

Literatures

PMID Publication Date Title Journal
21894932 2011-10-13 Symmetric and asymmetric bolaamphiphiles from ascorbic acid The journal of physical chemistry. B
20815349 2010-10-13 Production, stability, and antioxidative and antimicrobial activities of two L-ascorbate analogues from phycomyces blakesleeanus: D-erythroascorbate and D-erythroascorbate glucoside Journal of agricultural and food chemistry
20393842 2010-07-01 Determination of isoascorbic acid in fish tissue by hydrophilic interaction liquid chromatography-ultraviolet detection Analytical and bioanalytical chemistry
20039675 2010-01-27 The influence of stereochemistry of antioxidants and flavonols on oxidation processes in a model wine system: ascorbic acid, erythorbic acid, +-catechin and (-)-epicatechin Journal of agricultural and food chemistry
19604503 2009-10-12 1,4-Dioxane-2,5-dione-type monomers derived from l-ascorbic and d-isoascorbic acids. Synthesis and polymerisation Carbohydrate research
19397897 2009-06-26 Ascorbic acid conversion to erythroascorbic acid, mediated by ubiquitin Biochemical and biophysical research communications
19352023 2009-04-23 Microbial conversion of L-ascorbic acid to L-erythroascorbic acid Bioscience, biotechnology, and biochemistry
19133763 2009-02-05 Effect of headgroup chirality in nanoassemblies. Part 1. Self-assembly of D-isoascorbic acid derivatives in water The journal of physical chemistry. B
18845575 2008-12-01 Mechanisms and regulation of vitamin C uptake: studies of the hSVCT systems in human liver epithelial cells American journal of physiology. Gastrointestinal and liver physiology
18614384 2008-08-01 A role for yeast glutaredoxin genes in selenite-mediated oxidative stress Fungal genetics and biology : FG & B
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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