alpha-Acetobromogalactose

HCID 2734143

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3068-32-4
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-HTOAHKCRSA-N
분자식: C14H19BrO9
평균 분자량: 411.2 g/mol
단동위원소 질량: 410.02124429

이름 및 식별자

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

이름 및 동의어

3068-32-4alpha-AcetobromogalactoseRefChem:3182922,3,4,6-Tetra-O-acetyl-alpha-D-galactopyranosyl bromideAcetobromo-alpha-D-galactoseMFCD000636862,3,4,6-Tetra-O-acetyl-a-D-galactopyranosyl bromideAcetobromo-|A-D-galactosea-D-Galactopyranosyl bromide, tetraacetateDTXSID501314790AKOS0158968321-Bromo-2,3,4,6-tetra-O-acetyl-alpha-D-galactopyranoside

이름 더 보기

2,3,4,6-tetra-o-acetyl-α-d-galactopyranosyl bromideAcetobromo-α-D-galactose2,3,4,6-Tetra-O-acetyl-α-D-galactopyranosyl bromideACETOBROMO-A-D-GALACTOSE(2R,3S,4S,5R)-2-(acetoxyMethyl)-6-broMotetrahydro-2H-pyran-3,4,5-triyl triacetate-α-D-gaLactopyranosyLBromo GalactosideACETOBROMOGALACTOSEacetobromo-D-galactose

Bromo 2,3,4,6-Tetra-O-acetyl-Alpha-D-galactopyranoside(Stabilized with 2% (wt/wt) CaCO3)a-d-galactopyranosyl bromideAcetobromo- alpha -D-galactoseAMY24723[(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-bromooxan-2-yl]methyl acetateI+/--AcetobromogalactoseA820479SCHEMBL40824

데이터베이스 식별자

CAS: 3068-32-4
PubChem CID: 2734143
DTXSID: DTXSID501314790
EC Number: 221-324-0
Nikkaji: J205.373J

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

물리화학적 성질

녹는점: 83 · 83-85 °C
끓는 점: 412 · 412.0±45.0 °C(Predicted)
밀도: 1.7028 · 1.7028 (rough estimate)
굴절률: 1.449 · 1.4490 (estimate)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly), Water (Slightly)
물리적 상태: 고체
색상: 흰색에서 연한 노란색
생물학적 소스: synthetic (organic)
수용성: 난용성
BRN: 96671 · 96671
안정성: 2 % · 온도에 민감함; 냉동실에 보관하세요. 2% CaCO3로 안정화됨
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-HTOAHKCRSA-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 Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29329990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
F 고인화성물질: 8-10-21
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Temperature and moisture sensitive; Store in freezer; Stabilized with 2% CaCO3

상·하류 제품 정보

하류 제품

3,4,6-Tri-O-acetyl-D-galactal D-Galactal (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-(4-(hydroxymethyl)-2-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate 4-Methylphenyl tetra-O-acetyl-beta-D-galactopyranoside 7-O-베타-D-갈락토피라노실쿠마린-4-아세트산

공급사100 곳

北京华美互利生物化工010-56205725 · [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]

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

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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