Raffinose
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Grundinformationen
- CAS
17629-30-0- Standard-SMILES
OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N- Summenformel
- C18H32O16
- Durchschnittliche Molmasse
- 504,4 g/mol
- Monoisotopische Masse
- 504,16903494
Überblick
Raffinose is a trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 16 and 12 glycosidic linkages, respectively. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a trisaccharide and a raffinose family oligosaccharide.
Namen und Bezeichner
- Bevorzugter Name
- Raffinose
- IUPAC
- (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Namen und Synonyme
RAFFINOSEMelitose512-69-6D-RaffinoseGossyposeMelitriose6G-alpha-D-galactosylsucroseRaffinose, pureN5O3QU595MDTXSID8041111CHEBI:16634NSC-2025
Weitere Namen anzeigen
alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolNSC-170228(2S,3R,4S,5R,6R)-2-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl)oxy-3,4,5-tris(oxidanyl)oxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5R,6R)-2-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:9106GlyTouCan:G40178VU
Datenbank-Bezeichner
- CAS
17629-30-0、512-69-6- PubChem CID
- 439242
- DTXSID
DTXSID8041111- ChEMBL
CHEMBL603717- ChEBI
CHEBI:16634- UNII
- N5O3QU595M
- EC Number
- 208-146-9
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -5,8
- Polarare Oberfläche (TPSA)
- 269 Ų
- H-Brücken-Donoren
- 11
- H-Brücken-Akzeptoren
- 16
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 655
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Oligosaccharides
SpringerMaterials PropertiesDensity
Solubility203 mg/mL
Melting Point80 °C
Physical Description
Pentahydrate: Solid; [Merck Index] Solid; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section
208.9 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
209 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
208.72 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
210 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
197 Ų [M-H]-
210.51 Ų [M+HCOO]-
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (34 of 34) of all reports.
Not Classified
Aggregated GHS information provided per 34 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationChemical: .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)-
Other Safety InformationIMAP assessments - .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)-: Human health tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsPlatelet
Cellular LocationsCytoplasm
Metabolite PathwaysGalactose Metabolism
Verwendung und Herstellung
Uses
A trisaccharide composed of 1 mol each of D-galactose, D-glucose, and D-fructose; Found in Australian manna and cottonseed meal; [Merck Index]
Use (kg; approx.) in Germany (2009): >10
General Manufacturing Information.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)-: ACTIVE
Anbieter100 Anbieter
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