Salicylic acid glucoside
Grundinformationen
- CAS
10366-91-3- Standard-SMILES
O=C(O)c1ccccc1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
TZPBMNKOLMSJPF-TWEVDUBQSA-N- Summenformel
- C13H16O8
- Durchschnittliche Molmasse
- 300,26 g/mol
- Monoisotopische Masse
- 300,08451746
Überblick
2-(D-glucosyloxy)benzoic acid is a monosaccharide derivative that is salicylic acid in which the phenolic hydrogen is replaced by a D-glucosyl residue. It is a member of benzoic acids, a D-glucoside and a monosaccharide derivative. It is functionally related to a salicylic acid.
Namen und Bezeichner
- Bevorzugter Name
- Salicylic acid glucoside
- IUPAC
- 2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
- Englischer Name
- Benzoic acid, 2-(beta-D-glucopyranosyloxy)-
- Summenformel
- C13H16O8
- Molmasse
- 300.26
Namen und Synonyme
Salicylic acid glucosideRefChem:1809222-(D-glucosyloxy)benzoic acid2-(D-glucopyranosyloxy)benzoic acidSalicylic acid beta-glucoside2-(Hexopyranosyloxy)benzoic acidglucosylsalicylic acidO-glucosylsalicylic acid2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acidsalicylic acid glucopyranosideSalicylic acid-glucopyranosideSCHEMBL4281885
Weitere Namen anzeigen
Salicylic acid 2-beta-D-glucosideGastrodin Impurity 30Salicylic acid O-glucoside2-O-β-D-Glucosylsalicylic acidSalicylic acid 2-O-b-D-glucosideSalicylic Acid 2-O-β-D-GlucosideSalicylic acid 2-O-beta-D-glucoside2-O-beta-Glucopyranosylsalicylic acidBenzoicacid,2-(β-D-glucopyranosyloxy)-
CHEBI:87766DTXSID50908542MSK166657-100MBenzoic acid, 2-(beta-D-glucopyranosyloxy)-Q271599103D77C27E-4425-4724-A323-C2DDF33E5E4CSalicylic acid 2-O-beta-D-glucoside Solution in Methanol, 100ug/mL2-{[(3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}BENZOIC ACID
Datenbank-Bezeichner
- CAS
10366-91-3- PubChem CID
- 151505
- DTXSID
DTXSID50908542- ChEBI
CHEBI:87766
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,5
- Polarare Oberfläche (TPSA)
- 137 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 362
Physikochemische Eigenschaften
- Siedepunkt
- 591.6 · 591.6±50.0 °C(Predicted)
- Dichte
- 1.588 · 1.588
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 3.34 · 3.34±0.36(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Off-White to Light Orange
- Stabilität
- Hygroscopic
Chemie und Industrie
Anwendungen
VerwendenSalicylic Acid 2-O-β-D-Glucoside (SAG) is the predominant glycosylated metabolite of Salicylic Acid (S088125); a compound that plays an important role in plants, mostly in the induction of systemic acquired resistance (SAR) against pathogens.
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