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

HCID 95087CAS 7355-18-2

기본 정보

표준 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
분자식: C15H20O11
평균 분자량: 376.31 g/mol
단동위원소 질량: 376.10056146

이름 및 식별자

우선 이름: 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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 141 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 11
회전 가능 결합 수: 10
무거운 원자 수: 26
형식 전하: 0
복잡도: 584

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

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

연결된 노트

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