기본 정보
- CAS
108789-36-2- 표준 SMILES
OC[C@H]1O[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
OPIFSICVWOWJMJ-HRNXZZBMSA-N- 분자식
- C14H15BrClNO6
- 평균 분자량
- 408.63 g/mol
- 단동위원소 질량
- 406.97713
개요
5-bromo-4-chloro-3-indolyl alpha-D-glucoside is an indolyl carbohydrate that is the alpha-D-glucoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is an alpha-D-glucoside, an indolyl carbohydrate, an organochlorine compound, an organobromine compound and a D-aldohexose derivative. It is functionally related to an indoxyl.
이름 및 식별자
- 우선 이름
- 5-bromo-4-chloro-1H-indol-3-yl alpha-D-glucopyranoside
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- 5-Bromo-4-chloro-3-indolyl-a-D-glucopyranoside
- 분자식
- C14H15BrClNO6
- 분자량
- 408.63
이름 및 동의어
108789-36-25-Bromo-4-chloro-3-indolyl a-D-glucopyranoside5-Bromo-4-chloro-3-indolyl-a-D-glucopyranoside5-bromo-4-chloro-1H-indol-3-yl alpha-D-glucopyranoside5-Bromo-4-chloro-3-indolyl-alpha-D-glucopyranoside(2R,3R,4S,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolX-alpha-GlcMFCD001556065-Bromo-4-chloro-3-indolyl alpha-D-glucopyranoside5-Bromo-4-chloro-3-indoxyl-alpha-D-glucopyranoside5-bromo-4-chloroindoxyl alpha-D-glucoside5-bromo-4-chloro-3-indolyl alpha-D-glucoside
이름 더 보기
X-A-GLUX-α-D-GlcX-ALPHA-GLUX-ALPHA-D-GLCX-ALPHA-GLUCOSIDEX-ALPHA-D-GLUCOSIDE5-Brom-4-chlor-3-indolyl-β-D-glucopyranosid5-BROMO-4-CHLORO-3-INDOLYL-ALPHA-D-GLUCOSIDE5-Bromo-4-chloro-3-indoxylα-D-glucopyranoside5-Bromo-4-chloro-3-indolyl α-D-glucopyranoside
(2R,3R,4S,5S,6R)-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol5-Bromo-4-chloro-3-indolyl ?-D-glucopyranoside(2R,3R,4S,5S,6R)-2-[(5-Bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triolX-| cent-D-GlcX-| cent-D-GlcSCHEMBL152362orb2941741SCHEMBL29534778
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 421
물리화학적 성질
- 끓는 점
- 674 ℃ · 674℃
- 밀도
- 1.882 · 1.882
- 굴절률
- 1.611 · 1.6110 (estimate)
- 인화점
- 361 ℃ · 361℃
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 12.74 · 12.74±0.70(Predicted)
- 물리적 상태
- 가루
- 색상
- 하얀색
- InChI
- InChI=1/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13-,14+/s3
- InChIKey
- OPIFSICVWOWJMJ-YOKWFQDINA-N
- SMILES
- C12C(Cl)=C(C=CC=1NC=C2O[C@@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)Br |&1:11,12,14,15,17,r|
화학적 성질
white to off-white fine crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- HS 번호
- 29400090
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도suitable as substrate for α-glucosidase; substrate used in the Druggan-Forsythe-Iversen medium (DFI agar) for the selective detection of Enterobacter sakazakii in infant milk
일반 설명5-Bromo-4-chloro-3-indolyl α-D-glucopyranoside, X-Gluc, is a indigogenic substrate for β- glucuronidase enzyme (GUS). It aids screening of transgenic plants based on GUS activity. GUS deesterifies X-Gluc into indoxyl derivative which upon oxidative polymerization results in the generation of blue indigotin dye.
공급사64 곳
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Aladdin Scientific[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
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