Trilithium glycyrrhizinate
Basic information
- CAS
134885-71-5- Standard SMILES
CC1(C(=O)[O-])CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CC(OC6OC(C(=O)[O-])C(OC7OC(C(=O)[O-])C(O)C(O)C7O)C(O)C6O)CC(C)(C)C5CCC43C)C2C1.[Li+].[Li+].[Li+]- InChIKey
FWZXSUBXGXTPNE-UHFFFAOYSA-K- Molecular formula
- C42H59Li3O16
- Average molar mass
- 840.8 g/mol
- Monoisotopic mass
- 840.4283211
Names & identifiers
- Preferred name
- Trilithium glycyrrhizinate
- IUPAC
- trilithium;6-[2-carboxylato-6-[(11-carboxylato-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-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Names & synonyms
Glycyrrhizic acid trilithium saltTrilithium glycyrrhizinate134885-71-5alpha-D-Glucopyranosiduronic acid, (3-beta,20-beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-beta-D-glucopyranuronosyl-, trilithium saltRefChem:386313DTXSID20928797Trilithium 2-[(4-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxoolean-12-en-29-oate
Database identifiers
- CAS
134885-71-5- PubChem CID
- 3077620
- DTXSID
DTXSID20928797
Properties
Computed structural properties
- Topological polar surface area
- 276 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 4
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,710
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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