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Sodium gluconate(CAS No. 527-07-1)

Sodium gluconate C6H11NaO7 (cas 527-07-1) Molecular Structure

527-07-1 Structure

Identification and Related Records

【Name】
Sodium gluconate
【CAS Registry number】
527-07-1
【Synonyms】
Gluconic acid sodium salt
Clewat GL
sodium 2,3,4,5,6-pentahydroxyhexanoate
Sunmorl N 60S
Gluconic acid, monosodium salt, D-
D-Gluconic acid,monosodium salt
Recover
Sodium D-gluconate
【EINECS(EC#)】
208-407-7
【Molecular Formula】
C6H11NaO7 (Products with the same molecular formula)
【Molecular Weight】
218.14
【Inchi】
InChI=1/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1
【InChIKey】
UPMFZISCCZSDND-UHFFFAOYSA-M
【Canonical SMILES】
C(C(C(C(C(C(=O)O)O)O)O)O)O
【Isomers smiles】
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
【MOL File】
527-07-1.mol

Chemical and Physical Properties

【Appearance】
white or off-white granular powder
【Density】
1.763g/cm3
【Melting Point】
206-209℃
【Boiling Point】
673.6 ℃ at 760 mmHg
【Flash Point】
375.2℃
【Water】
0.1 g/mL, clear
【Solubilities】
590 g/L (25℃)
【Color/Form】
Needles from ethanol & ether
Crystals
【Stability】
Stable. Incompatible with strong oxidizing agents.
【HS Code】
29181600
【Storage temp】
Store in a cool, dry place. Keep container closed when not in use.
【Spectral properties】
Specific optical rotation: -3.49 TO +12.95 DEG @ 25 DEG C/D (WATER); mutarotatory; sadtler reference number: 8335 (IR, PRISM)
Specific optical rotation: -6.7 DEG @ 20 DEG C/D (CONCN= 1 G/100 ML WATER)
IR: 21802 (Sadtler Research Laboratories IR Grating Collection)
NMR: 11270 (Sadtler Research Laboratories Spectral Collection)
【Computed Properties】
Molecular Weight:196.15528 [g/mol]
Molecular Formula:C6H12O7
XLogP3-AA:-3.4
H-Bond Donor:6
H-Bond Acceptor:7
Rotatable Bond Count:5
Exact Mass:196.058303
MonoIsotopic Mass:196.058303
Topological Polar Surface Area:138
Heavy Atom Count:13
Formal Charge:0
Complexity:170
Isotope Atom Count:0
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:7
Feature 3D Donor Count:5
Feature 3D Anion Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:28

Safety and Handling

【Safety Statements 】
S24/25
【Safety】
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: LZ5235000
HS Code: 29181600
【Transport】
50kgs
【Formulations/Preparations】
Because of difficulties of preparing solid crystal product, gluconic acid of commerce is 50% aq soln.
Grades: technical, 50% SOLN.
【Specification】
Glonsen , with CAS number of 527-07-1, can be called D-Gluconic acid, monosodium salt ; Gluconato di sodio ; Monosodium D-gluconate ; Gluconic acid sodium salt ; Sodium D-gluconate ; Sodium gluconate . It is a white or off-white granular powder.
【Disposal Methods】

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing
May be prepared from glucose by electrolytic oxidn in alkaline medium; by chem oxidn with hypobromites
By hydrolysis of alpha-d-glucose with bromine plus h2so4; by gamma-irradiation of d-glucose;
At present produced in commercial quantities by fermentative oxidn of aldehyde group in glucose from corn using aspergillus niger, aspergillus fumaricus, acetobacter aceti, penicillium chrysogenum, & other penicillia.
Cannizzaro reaction on glucose under alkaline conditions forms sorbitol and gluconic acid
Glucose is removed from liquid egg white, before drying /and/ oxidized to gluconic acid using a glucose-oxidase-catalase enzyme system. In this method, oxygen is supplied by the addition of hydrogen peroxide
Direct oxidation of glucose in the presence of a palladium catalyst results in the formation of gluconic acid. The direct oxidation of glucose to gluconic acid by oxygen also takes place in the presence of the enzyme glucose oxidase.

U.S. Imports
(1984) 5.44X10+7 g
【Usage】
Used as a sequestering agent forming water-sol complexes with calcium in alkaline media and with iron in near neutral solns.

Biomedical Effects and Toxicity

【Biomedical Effects and Toxicity】
(99)TCM-labeled gluconate was accumulated relatively early in the kidney, and esp in the urinary tract.

Supplier Location

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