기본 정보
- CAS
105431-82-1- 표준 SMILES
CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
BPHPUYQFMNQIOC-NXRLNHOXSA-N- 분자식
- C9H18O5S
- 평균 분자량
- 238.3 g/mol
개요
Isopropyl beta-D-thiogalactopyranoside is an S-glycosyl compound consisting of beta-D-1-thiogalactose having an isopropyl group attached to the anomeric sulfur.
이름 및 식별자
- 우선 이름
- isopropyl beta-D-thiogalactopyranoside
- IUPAC
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
- 현지명
- 1,3-부탄디올,2-에틸-2-(히드록시메틸)-1,3-프로판디올,1,1'-메틸렌비스[4-이소시아네이토벤젠]및2,2'-옥시비스[에탄올]중합체
- 영어명
- 1,3-Butanediol, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,1'-methylenebis[4-isocyanatobenzene] and 2,2'-oxybis[ethanol]
- 분자식
- C9H18O5S
- 분자량
- 238.30122
이름 및 동의어
IPTG367-93-1Isopropyl-beta-D-thiogalactopyranosideIsopropyl beta-D-thiogalactopyranosideISOPROPYL THIOGALACTOSIDEIsopropyl-beta-D-thiogalactosideIsopropyl beta-D-1-thiogalactopyranosideIsopropyl beta-D-thiogalactosideIsopropyl 1-Thio-beta-D-galactopyranosideDTXSID6041052X73VV2246B(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
이름 더 보기
1,3-부탄디올,2-에틸-2-(히드록시메틸)-1,3-프로판디올,1,1'-메틸렌비스[4-이소시아네이토벤젠]및2,2'-옥시비스[에탄올]중합체1,3-Butanediol, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 1,1'-methylenebis[4-isocyanatobenzene] and 2,2'-oxybis[ethanol]
CHEBI:61448beta-D-Galactopyranoside, 1-methylethyl 1-thio-(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyl-oxane-3,4,5-triolThiogalactoside, Isopropylisopropyl beta-thiogalactosideIsopropyl 1 Thio beta D galactopyranoside1-Thio-beta-D-galactopyranoside, IsopropylRefChem:389084
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 201
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Biochemical Research
DrugsPharmaceuticals -> Listed in ZINC15
LogP-1.26
Physical DescriptionWhite solid with an odor of sulfur; [Promega MSDS]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 81% (115 of 142) of all reports.
Warning
H302 (12%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 142 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Isopropyl thiogalactoside: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn eye irritant; Harmful by ingestion; May cause liver and kidney injury; [Promega MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (12%)
화학 및 산업
용도 및 제조
UsesUsed to induce protein synthesis and to detect lac gene activity; [Merck Index]
General Manufacturing Information.beta.-D-Galactopyranoside, 1-methylethyl 1-thio-: ACTIVE
관련 반응
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