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71277-79-7

Basic Information
CAS No.: 71277-79-7
Name: a-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-, sodiumsalt (1:2)
Molecular Structure:
Molecular Structure of 71277-79-7 (a-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-, sodiumsalt (1:2))
Formula: C42H62 O16 . 2 Na
Molecular Weight: 869.02
Synonyms: a-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-, disodiumsalt (9CI); 18b-Glycyrrhizicacid disodium salt; Disodium glycyrrhizinate; Glycyrrhizinic acid disodium salt
EINECS: N/A
Density: N/A
Melting Point: N/A
Boiling Point: 971.4°C at 760 mmHg
Flash Point: 288.1°C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety: Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of Na2O.
Transport Information: N/A
PSA: 269.87000
LogP: 0.91090
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Chemistry

Molecule structure of Disodium glycyrrhizin (CAS NO.71277-79-7) :

IUPAC Name: disodium (2S,3S,4S,5R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,
4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylate 
Molecular Weight: 866.89574 g/mol
Molecular Formula: C42H60Na2O16 
Boiling Point: 971.4 °C at 760 mmHg
Flash Point: 288.1 °C
Enthalpy of Vaporization: 160.44 kJ/mol
H-Bond Donor: 6
H-Bond Acceptor: 16
Rotatable Bond Count: 5
Tautomer Count: 5
Exact Mass: 866.367675
MonoIsotopic Mass: 866.367675
Topological Polar Surface Area: 273
Heavy Atom Count: 60
Complexity: 1720
Defined Atom StereoCenter Count: 18
Undefined Atom StereoCenter Count: 1
Isomeric SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O[C@@H]7
[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O)C)(C)C(=O)O.[Na+].[Na+]
InChIKey: KPQJOKRSYYJJEL-AKQZATQSSA-L

Uses

 Disodium glycyrrhizin (CAS NO.71277-79-7) is used as a sweetener and used in medicine, food, sauce products, beverage and other industries.

Production

 Disodium glycyrrhizin (CAS NO.71277-79-7) is made by partial alkali refining of glycyrrhizin and sodium.
Licorice powder plus five times the boiling water extraction, filtered solids, add sulfuric acid to weak acidity. Precipitate the settlement at room temperature, except on the upper clear liquid, precipitation by ammonia, and later washed, filtered, the filtrate added to glycyrrhizin ammonium acetate precipitation, with 70% ~ 80% ethanol, re-crystallization, according to the theoretical value by adding carbonic acid sodium solution, vacuum concentration derived.

Toxicity Data With Reference

1.    

cyt-ham:fbr 4 g/L

    FCTOD7    Food and Chemical Toxicology. 22 (1984),623.
2.    

cyt-ham:lng 1700 mg/L

    GMCRDC    Gann Monograph on Cancer Research. 27 (1981),95.
3.    

ipr-mus LD50:144 mg/kg

    YKYUA6    Yakkyoku. Pharmacy. 32 (1981),1367.

Safety Profile

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of Na2O.

Specification

 Disodium glycyrrhizin (CAS NO.71277-79-7) is also called CCRIS 1966 ; Disodium glycyrrhizinate ; Glycyrrhizinic acid disodium salt ; alpha-D-Glucopyranosiduronic acid, (3-beta,20-beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-, disodium salt . Disodium glycyrrhizin (CAS NO.71277-79-7) is white to pale yellow powder with a very sweet flavor. It is soluble in water, dilute alcohol, glycerol and propylene glycol, insoluble in ethanol, ether, chloroform and grease.

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