N-Acetyllactosamine

HCID 439271CAS 18972-90-2

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Grundinformationen

Standard-SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O
InChIKey: KFEUJDWYNGMDBV-LODBTCKLSA-N
Summenformel: C14H25NO11
Durchschnittliche Molmasse: 383,35 g/mol
Monoisotopische Masse: 383,14276061

Namen und Bezeichner

Bevorzugter Name: N-Acetyllactosamine
IUPAC: N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Englischer Name: D-Galactopyranosyl
Molmasse: 0

Namen und Synonyme

N-acetyllactosamine32181-59-2CHEBI:16153beta-D-galactosyl-1,4-N-acetyl-D-glucosamineN-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamideN-((2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxan-3-yl)acetamideRefChem:162753GlyTouCan:G00055MOG00055MO3Y5B2K5OOKCHEMBL457432beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine

Weitere Namen anzeigen

Azido 2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-&beta

N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideD-galactopyranosyl3ehnGalb1-4GlcNAcbdelta-galactopyranosylGalbeta1-4GlcNAcbetaEpitope ID:130646betaGal(1->4)betaGlcNAc

Datenbank-Bezeichner

CAS: 18972-90-2、32181-59-2
PubChem CID: 439271
DTXSID: DTXSID10954045
ChEMBL: CHEMBL457432
ChEBI: CHEBI:16153
EC Number: 636-520-5
Nikkaji: J972.480J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -4,7
Polarare Oberfläche (TPSA): 198 Å²
H-Brücken-Donoren: 8
H-Brücken-Akzeptoren: 11
Frei drehbare Bindungen: 5
Schwere Atome: 26
Formalladung: 0
Komplexität: 480

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.