Ammonium glycyrrhizinate

C42H65NO16CAS 1407-03-0839.97 g/mol

Open in Covalent MOL file
OOOHOOHOHOOOHOOHOHOHOOOHNH3
AcetalAlcoholAlkeneCarboxylic acidEtherKetone

Properties

Molecular formula
C42H65NO16
Molar mass
839.97 g/mol
Exact mass
839.4303 Da
logP
2.41Crippen estimate
Polar surface area
302.0 Ų
H-bond donors / acceptors
9 / 14
Rotatable bonds
7
Stereocentres
S, S, S, S, S, R, R, S, S, S, R, S, R, R, S, S, S, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 269 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
1407-03-0
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]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12.N
InChIKey
ILRKKHJEINIICQ-OOFFSTKBSA-N
InChI
InChI=1S/C42H62O16.H3N/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);1H3/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

21 names · show all
  • α-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-, ammonium salt (1:1)
  • α-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-, monoammonium salt
  • 30-Noroleanane, α-D-glucopyranosiduronic acid deriv.
  • Glycyrrhizic acid ammonium salt
  • Glycyrrhizin ammonium salt
  • Monoammonium glycyrrhizinate
  • Glycyrram
  • Glycamil
  • 18β-Glycyrrhizic acid monoammonium salt
  • Monoammonium glycyrrhizate
  • Glycyrrhizin monoammonium salt
  • Ammonium glycyrrhizate
  • Glycyrrhizic acid monoammonium salt
  • Glycymin
  • NSC 2800
  • NSC 35348
  • Magnasweet
  • (+)-Glycyram
  • Monoammonium 18β-glycyrrhizinate
  • Glycyron ammonium salt
  • Glycyron monoammonium salt

Work with Ammonium 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 Dipotassium glycyrrhizinate68797-35-3Salt Disodium glycyrrhizinate71277-79-7Salt Potassium glycyrrhizinate68039-19-0Salt Sodium glycyrrhizinate56649-78-6Salt Diammonium glycyrrhizinate79165-06-3Salt Ammonium glycyrrhizinate53956-04-0

Similar compounds

18Alpha-glycyrrhetinic acid1449-05-463 % similar Glycyrrhetinic acid471-53-463 % similar Carbenoxolone5697-56-362 % similar Calenduloside E26020-14-457 % similar Ginsenoside ro34367-04-952 % similar Carbenoxolone sodium7421-40-150 % similar Stearyl glycyrrhetinate13832-70-750 % similar Soyasaponin ba114590-20-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-nh-peg12-ch2ch2cooh756526-01-9

Elsewhere

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