Sodium glycyrrhizinate

C42H61NaO16CAS 56649-78-6844.92 g/mol

Open in Covalent MOL file
OOO−OOHOHOOOHOOHOHOHOOHONa+
AcetalAlcoholAlkeneCarboxylic acidEtherKetone

Properties

Molecular formula
C42H61NaO16
Molar mass
844.92 g/mol
Exact mass
844.3857 Da
logP
1.86Crippen estimate
Polar surface area
267.0 Ų
H-bond donors / acceptors
8 / 13
Rotatable bonds
7
Stereocentres
S, S, S, S, S, R, R, S, S, S, R, S, R, R, R, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
56649-78-6
SMILES
CC1(C)[C@@H](O[C@H]2O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@@]12C.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • α-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-, sodium salt (1:?)
  • α-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-, sodium salt
  • Sodium glycyrrhizate

Work with Sodium glycyrrhizinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Glycyrrhizic acid1405-86-3Free acid Ammonium glycyrrhizinate1407-03-0Salt Ammonium glycyrrhizinate53956-04-0Salt Dipotassium glycyrrhizinate68797-35-3Salt Disodium glycyrrhizinate71277-79-7Salt Potassium glycyrrhizinate68039-19-0Salt Diammonium glycyrrhizinate79165-06-3Salt

Similar compounds

Carbenoxolone5697-56-360 % similar 18Alpha-glycyrrhetinic acid1449-05-459 % similar Glycyrrhetinic acid471-53-459 % similar Carbenoxolone sodium7421-40-154 % similar Calenduloside E26020-14-453 % similar Ginsenoside ro34367-04-949 % similar Stearyl glycyrrhetinate13832-70-747 % similar Soyasaponin ba114590-20-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook