メチルβ-D-グルコピラノシド0.5水和物

Methyl beta-D-glucopyranoside

HCID 445238

基本情報

CAS: 709-50-2
標準SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: HOVAGTYPODGVJG-XUUWZHRGSA-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 beta-D-glucopyranoside is a beta-D-glucopyranoside having a methyl substituent at the anomeric position. It is a beta-D-glucoside and a methyl D-glucoside.

名称と識別子

優先名称: Methyl beta-D-glucopyranoside
IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
現地名: メチルβ-D-グルコピラノシド0.5水和物
英語名: Methyl beta-D-glucopyranoside
分子式: C7H14O6
分子量: 194.18

名称と別名

Methyl beta-D-glucopyranoside709-50-2Methyl beta-D-glucosideO1-Methyl-Glucosebeta-Methylglucosidebeta-Methyl-D-glucosideMethyl |A-D-glucopyranoside1-O-Methyl-beta-D-glucopyranosideMethyl-beta-D-glucopyranosideMFCD00006602beta-D-Glucopyranoside, methylMethyl b-D-glucopyranoside

名称をさらに表示

メチルβ-D-グルコピラノシド0.5水和物1-O-メチル-β-D-グルコピラノースメチルβ-D-グルコシドメチルβ-D-グルコピラノシドメチルβ-D-グルコシド0.5水和物メチル-Β-D-グルコピラノシドメチル Β-D-グルコピラノシド(2R,3S,4S,5R,6R)-2-(ヒドロキシメチル)-6-メトキシオキサン-3,4,5-トリオールMethyl β-D-Glucopyranoside280.00NSC 4034571-O-ME-BETA-D-GLC1-O-METHYL-GLUCOSIDEmethyl β-D-glucosideMethyl-D-Glucopyranose

beta-d-MethylglucopyranosideMethyl hexopyranoside(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol1-O-methyl-beta-D-glucopyranoseCHEBI:320055EINECS 211-909-9A-D-Glucopyranoside, methylCHEMBL132186

データベース識別子

CAS: 709-50-2
PubChem CID: 445238
DTXSID: DTXSID20883559
ChEMBL: CHEMBL132186
ChEBI: CHEBI:320055
EC Number: 211-909-9
Nikkaji: J109.292H

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

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesChemical shift

Melting Point108 - 110 °C

Physical DescriptionSolid

物理化学的性質

融点: 107 · 107-111 °C
沸点: 290.62 °C · 290.62°C (rough estimate)
比重(密度): 1.48 · 1.48
屈折率: 1.663 · 1.6630 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 2 O: · H2O: 0.1 g/mL 無色透明
酸解離定数(Pka): 12.92 · 12.92±0.70(Predicted)
外見: 個体
色: ホワイトからオフホワイト
水溶解度: 367.4 g/L · 367.4g/L(17℃)
InChI: InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/s3
InChIKey: HOVAGTYPODGVJG-MWIRRNGZNA-N
SMILES: O(C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |&1:2,4,7,9,11,r|
LogP: -2.69 · -2.690 (est)
CAS データベース: 709 · 709-50-2(CAS DataBase Reference)
EPAの化学物質情報: .beta.-D-Glucopyranoside, methyl (709-50-2)

化学的性質

化学的特性White Cyrstalline Solid

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information.beta.-D-Glucopyranoside, methyl: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

安全データ

F: 3-10
wgk: 3
tsca: TSCA listed
hs_code: 29389090
safety_code: 24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

General Manufacturing Information.beta.-D-Glucopyranoside, methyl: ACTIVE

応用分野

使用Methyl β-D-Glucopyranoside (cas# 709-50-2) is a compound useful in organic synthesis.

上流・下流製品情報

下流製品

2-Acetamido-2-deoxy-beta-D-glucosamine

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北博杰生物科技有限公司0713-2060728 15629612610

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

補足説明

定義ChEBI: A beta-D-glucopyranoside having a methyl substituent at the anomeric position.

化合物ノート

読み込み中…