Methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranuronate

HCID 95087CAS 7355-18-2

基本情報

標準SMILES: COC(=O)[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: DPOQCELSZBSZGX-XOBFJNJYSA-N
分子式: C15H20O11
平均分子量: 376.31 g/mol
単同位体質量: 376.10056146

名称と識別子

優先名称: Methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranuronate
IUPAC: methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate

名称と別名

Methyl 1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranuronatebeta-D-Glucopyranuronic acid, methyl ester, tetraacetateDTXSID501224723RefChem:812456.beta.-D-Glucopyranuronic acid, methyl ester, tetraacetateDTXCID4016559897355-18-2(2S,3R,4S,5S,6S)-6-(methoxycarbonyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetateMethyl 1,2,3,4-tetra-O-acetyl-beta-D-glucuronateMFCD00069834methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylateC15H20O11

名称をさらに表示

Methyl O-tetraacetyl-beta-D-glucopyranuronateMethyl tetra-O-acetyl-|A-D-glucopyranuronateMethyl 1234-tetra-O-acetyl-beta-D-glucuronateMethyl 1,2,3,4-tetra-O-acetyl-|A-D-glucuronate1,2,3,4-Tetra-o-acetyl-ss-D-glucopyranuronateMethyl 1,2,3,4-tetra-O-acetyl-?-D-glucopyranuronate1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranuronic Acid Methyl Ester1,2,3,4-Tetra-O-acetyl-b-D-glucuronic Acid Methyl Ester

データベース識別子

CAS: 7355-18-2
PubChem CID: 95087
DTXSID: DTXSID501224723
ChEMBL: CHEMBL490224
EC Number: 230-880-3
Nikkaji: J212.351G

物性

構造計算による物性

XLogP: -0.3
極性表面積: 141 Å²
水素結合供与体数: 0
水素結合受容体数: 11
回転可能結合数: 10
重原子数: 26
形式電荷: 0
複雑度: 584

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-Glucopyranuronic acid, methyl ester, tetraacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified