alpha-D-Glucopyranosyl bromide, tetraacetate

HCID 101776CAS 572-09-8

기본 정보

표준 SMILES: CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: CYAYKKUWALRRPA-RGDJUOJXSA-N
분자식: C14H19BrO9
평균 분자량: 411.2 g/mol
단동위원소 질량: 410.02124429

이름 및 식별자

우선 이름: alpha-D-Glucopyranosyl bromide, tetraacetate
IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate
영어명: 2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl bromide
분자식: C14H19BrO9
분자량: 411.2

이름 및 동의어

alpha-D-Glucopyranosyl bromide, tetraacetate.alpha.-D-Glucopyranosyl bromide, tetraacetateRefChem:555624572-09-82,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl bromideAcetobromglucoseacetobromoglucoseAcetobromo-alpha-D-glucoseC14H19BrO9MFCD000632542,3,4,6-Tetra-O-acetyl-|A-D-glucopyranosyl bromide[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate

이름 더 보기

2,3,4,6-tetra-o-acetyl-α-d-glucopyranosyl bromide2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl Bromideacetobromo-a-d-glucoseAcetobromo-α-D-glucoseA-D-GLUCOPYRANOSYL BROMIDEALPHA-ACETOBROMO-D-GLUCOSETETRA-O-ACETYL-A-D-GLUCOPYRANOSYL BROMIDE

Acetobromo-|A-D-glucose[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-bromooxan-2-yl]methyl acetateETH4010665a-acetobromglucose(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-bromotetrahydro-2H-pyran-3,4,5-triyl triacetateBromo 2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosideAcetobromo glucoseBromo 2,3,4,6-Tetra-O-acetyl-Alpha-D-glucopyranoside (~ 5% CaCO3 as stabilizer)

데이터베이스 식별자

CAS: 572-09-8
PubChem CID: 101776
DTXSID: DTXSID001031860
UNII: ETH4010665
EC Number: 209-339-0
Nikkaji: J6.538B

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 114 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 9
무거운 원자 수: 24
형식 전하: 0
복잡도: 506

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 86 · 86-89 °C
끓는 점: 0.125 · 0.125-30 °C(Press: 0.0005 Torr)
밀도: 1.49 · 1.49±0.1 g/cm3(Predicted)
저장 조건: 20 °C · −20°C
용해도: Acetontrile (Very Slightly), Chloroform (Slightly), Methanol (Slightly)
물리적 상태: 가루
색상: 흰색에서 베이지색
생물학적 소스: synthetic (organic)
수용성: 물에서 분해되다
Merck: 14 · 14,60
BRN: 96669 · 96669
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey: CYAYKKUWALRRPA-RGDJUOJXSA-N
SMILES: CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

화학적 성질

White Fluffy Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 86.4% (19 of 22) of all reports.

Warning

H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information.alpha.-D-Glucopyranosyl bromide, tetraacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (13.6%)

안전 데이터

wgk: -
HS 번호: 29329985
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36-26
F 고인화성물질: 8-10-21
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도An Intermediate in synthesis of ∫-glucosides

상·하류 제품 정보

하류 제품

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

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

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

INTATRADE GmbH+49 3493/605464 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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