Isomaltose

HCID 439193CAS 499-40-1

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

Experimentelle und physikochemische Eigenschaften

Collision Cross Section · 3 Einträge

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 · 3 Einträge

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

Zugehörige Reaktionen

9

Verknüpfte Notizen

Wird geladen…