Methyl alpha-D-mannopyranoside

HCID 101798CAS 25281-48-5

基本情報

標準SMILES: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIKey: HOVAGTYPODGVJG-VEIUFWFVSA-N
分子式: C7H14O6
平均分子量: 194.18 g/mol
単同位体質量: 194.07903817

概要

Methyl alpha-D-mannoside is a methyl mannoside having alpha-configuration at the anomeric centre. It is a methyl mannoside and an alpha-D-mannoside.

名称と識別子

優先名称: Methyl alpha-D-mannopyranoside
IUPAC: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
英語名: methyl mannoside
分子式: CH3OC6H11O5
分子量: 0

名称と別名

617-04-9Methyl alpha-D-mannopyranosideMethyl a-D-mannopyranosideMethyl alpha-D-mannosidealpha-Methyl-D-mannosideMethyl-alpha-D-mannopyranosidemethyl |A-d-mannopyranoside1-O-Methyl-alpha-D-mannopyranosidealpha-Methyl mannopyranosidealpha-D-Methyl mannosideMFCD00063262O1-Methyl-Mannose

名称をさらに表示

methyl mannosideMannoside, methyl

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triolMethyl-alpha-D-mannosideC7H14O62jdyNSC 1225alpha-Methyl-D-(-)-mannosidea-Methyl D-mannosidealpha-D-Mannopyranoside, methyl

データベース識別子

CAS: 25281-48-5、617-04-9
PubChem CID: 101798
DTXSID: DTXSID10897266
ChEMBL: CHEMBL195368
ChEBI: CHEBI:43943
EC Number: 210-502-3
Nikkaji: J95.586H

物性

構造計算による物性

XLogP: -2.2
極性表面積: 99.4 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 163

実験および物理化学的性質

Chemical ClassesBiological Agents -> Monosaccharides and Derivatives

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionWhite to slightly gray odorless powder; [Acros Organics MSDS]

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.

Not Classified

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32019

.alpha.-D-Mannopyranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Acros Organics MSDS]

Hazard Classes and CategoriesNot Classified