Grundinformationen
- Standard-SMILES
OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
DLRVVLDZNNYCBX-RTPHMHGBSA-N- Summenformel
- C12H22O11
- Durchschnittliche Molmasse
- 342,3 g/mol
Überblick
Isomaltose is a glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(16)-linkage. It has a role as a metabolite, a mouse metabolite and a human metabolite.
Namen und Bezeichner
- Bevorzugter Name
- Isomaltose
- IUPAC
- (3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Namen und Synonyme
ISOMALTOSE499-40-1Brachiose6-O-alpha-D-glucopyranosyl-D-glucopyranoseCHEBI:28189(3R,4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol(3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxane-2,3,4,5-tetrolRefChem:923733GlyTouCan:G39326SA6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxane-2,3,4,5-tetrolDTXCID001770707G39326SA
Weitere Namen anzeigen
207-879-16-O-alpha-D-Glucopyranosyl-D-glucose67I334IX2MD-Glucose, 6-O-alpha-D-glucopyranosyl-DTXSID701015178Glc| cent1, 6Glc(3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL)OXY)METHYL)TETRAHYDRO-2H-PYRAN-2,3,4,5-TETRAOL(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Datenbank-Bezeichner
- CAS
499-40-1- PubChem CID
- 439193
- ChEMBL
CHEMBL66675- ChEBI
CHEBI:28189- EC Number
- 207-879-1
- Nikkaji
- J38.558A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -4,7
- Polarare Oberfläche (TPSA)
- 190 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 382
Experimentelle und physikochemische Eigenschaften
Collision Cross Section
171.96 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
180.77 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
180.1 Ų [M-H]-
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.3% (140 of 141) of all reports.
Not Classified
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesNot Classified
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