2-Acetamido-2-deoxyglucosylgalactitol

HCID 195923CAS 76319-51-2

基本情報

標準SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey: PJAADWAJCPITFH-BTQUHPNKSA-N
分子式: C14H27NO11
平均分子量: 385.36 g/mol
単同位体質量: 385.15841068

概要

Beta-D-GlcpNAc-(1->3)-D-Gal-OH is a glycosyl alditol that is D-galactitol in which the hydroxy group at position 3 has been converted to the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranoside. It is a member of acetamides and a glycosyl alditol. It is functionally related to a galactitol and a N-acetyl-beta-D-glucosamine.

名称と識別子

優先名称: 2-Acetamido-2-deoxyglucosylgalactitol
IUPAC: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]acetamide
英語名: 2-acetamido-2-deoxyglucosylgalactitol
分子量: 0

名称と別名

2-Acetamido-2-deoxyglucosylgalactitol2-Adgg76319-51-22-Acetamido-2-deoxyglucosyl-(1-3)-galactitolD-Galactitol, 3-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-RefChem:909464GlyTouCan:G14023WKG14023WKN-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]acetamideDTXSID60997684CHEBI:147553beta-D-GlcpNAc-(1->3)-D-Gal-OH

名称をさらに表示

beta-D-GlcpNAc-(1->3)-D-galactitol3-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-D-galactitol3-O-{2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}hexitol3-O-{2-Deoxy-2-[(1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}-D-galactitolWURCS=2.0/2,2,1/[h2112h][a2122h-1b_1-5_2*NCC/3=O]/1-2/a3-b1

データベース識別子

CAS: 76319-51-2
PubChem CID: 195923
DTXSID: DTXSID60997684
ChEBI: CHEBI:147553

物性

構造計算による物性

XLogP: -5.2
極性表面積: 209 Å²
水素結合供与体数: 9
水素結合受容体数: 11
回転可能結合数: 9
重原子数: 26
形式電荷: 0
複雑度: 439