N-Acetyllactosamine

HCID 439271CAS 18972-90-2

基本情報

標準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
分子式: C14H25NO11
平均分子量: 383.35 g/mol
単同位体質量: 383.14276061

名称と識別子

優先名称: 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
英語名: D-Galactopyranosyl
分子量: 0

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: -4.7
極性表面積: 198 Å²
水素結合供与体数: 8
水素結合受容体数: 11
回転可能結合数: 5
重原子数: 26
形式電荷: 0
複雑度: 480

実験および物理化学的性質

Physical DescriptionSolid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory InformationD-Galactopyranosyl: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

法規制情報

Regulatory InformationD-Galactopyranosyl: Does not have an individual approval but may be used under an appropriate group standard

化学と産業

薬理情報

Tissue LocationsEpidermis；Intestine；Spleen

Cellular LocationsCytoplasm

サプライヤー1 社

美国生物[email protected]