a-D-Glucopyranosiduronic acid,(3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl2-O-b-D-glucopyranuronosyl-, monoammonium salt
Grundinformationen
- CAS
68083-53-4- Standard-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.[NH4+].[NH4+].[NH4+]- InChIKey
VGYQVMWYFPOAAE-DWJAGBRCSA-N- Summenformel
- C42H71N3O16
- Durchschnittliche Molmasse
- 874 g/mol
- Monoisotopische Masse
- 873,48343319
Überblick
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Namen und Bezeichner
- Bevorzugter Name
- a-D-Glucopyranosiduronic acid,(3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl2-O-b-D-glucopyranuronosyl-, monoammonium salt
- IUPAC
- triazanium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-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-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Namen und Synonyme
Glycyrrhizic acid triammonium saltDTXSID501340458a-D-Glucopyranosiduronic acid,(3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl2-O-b-D-glucopyranuronosyl-, monoammonium salttriazanium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-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-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate(2S,3S,4S,5R,6R)-6-(((2S,3R,4S,5S,6S)-6-carboxy-2-(((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-
Datenbank-Bezeichner
- CAS
68083-53-4- PubChem CID
- 11722041
- DTXSID
DTXSID501340458
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 279 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 16
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 61
- Formalladung
- 0
- Komplexität
- 1.710
Zugehörige Reaktionen
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