chempirical

Dipotassium glycyrrhizinate

C42H60K2O16CAS 68797-35-3899.12 g/mol

Open in Covalent MOL file
OOO−OOHOHOOO−OOHOHHOOOHOK+K+
AcetalAlcoholAlkeneCarboxylic acidEtherKetone

Properties

Molecular formula
C42H60K2O16
Molar mass
899.12 g/mol
Exact mass
898.3155 Da
logP
1.48Crippen 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

Identifiers

CAS number
68797-35-3
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.[K+].[K+]
InChIKey
OBGGYNKAUJJJKE-VLQRKCJKSA-N
InChI
InChI=1S/C42H62O16.2K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1

Weigh it out

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

Names and synonyms

11 names
  • α-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-, potassium salt (1:2)
  • α-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-, dipotassium salt
  • 30-Noroleanane, α-D-glucopyranosiduronic acid deriv.
  • Dipotassium glycyrrhizate
  • Glycyrrhizinic acid dipotassium salt
  • Glycyrrhizic acid dipotassium salt
  • 18β-Glycyrrhizic acid dipotassium salt
  • Glycyrrhizin dipotassium salt
  • Licozin G 1
  • OriStar DPG
  • Glycyrrhizinate dipotassium

Work with Dipotassium 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

Similar compounds

Potassium glycyrrhizinate68039-19-095 % similar Disodium glycyrrhizinate71277-79-793 % similar Sodium glycyrrhizinate56649-78-689 % similar Glycyrrhizic acid1405-86-385 % similar Ammonium glycyrrhizinate1407-03-082 % similar Ammonium glycyrrhizinate53956-04-082 % similar 18α-Glycyrrhetinic acid1449-05-461 % similar Glycyrrhetinic acid471-53-461 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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