기본 정보
- CAS
53928-30-6- 표준 SMILES
CC1(C)O[C@H]2O[C@H]([C@@H](COCc3ccccc3)OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1- InChIKey
RNPMTPOOMRPILB-XYPQWYOHSA-N- 분자식
- C30H34O6
- 평균 분자량
- 490.6 g/mol
- 단동위원소 질량
- 490.2355388
이름 및 식별자
- 우선 이름
- 3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose
- IUPAC
- (3aR,5R,6S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
- 현지명
- 1,2-O-이소프로필리덴-3,5,6-TRI-O-BENZYL-ALPHA-D-글루코푸라노스
- 영어명
- 1,2-O-Isopropylidene-3,5,6-tri-O-benzyl-alpha-D-glucofuranose
- 분자식
- C30H34O6
- 분자량
- 490.59
이름 및 동의어
53928-30-6EINECS 258-868-33,5,6-tri-O-.benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose1,2-O-ISOPROPYLIDENE-3,5,6-TRI-O-BENZYL-ALPHA-D-GLUCOFURANOSEJ63MA3RV3G3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranoseEC 258-868-3TRIBENOSIDE IMPURITY A [EP IMPURITY]1,2-O-ISOPROPYLIDENE-3,5,6-TRI-O-BENZYL-.ALPHA.-D-GLUCOFURANOSE.ALPHA.-D-GLUCOFURANOSE, 1,2-O-(1-METHYLETHYLIDENE)-3,5,6-TRIS-O-(PHENYLMETHYL)-TRIBENOSIDE IMPURITY A (EP IMPURITY)RefChem:486471
이름 더 보기
1,2-O-이소프로필리덴-3,5,6-TRI-O-BENZYL-ALPHA-D-글루코푸라노스Tribenoside ImpurityTribenoside impurity A CRSTribenzyl glycoside EP Impurity ATri-O-Benzyl-Monoacetone-D-GlucofuranoseTri-O-benzyl-a-D-monoacetoneglucofuranoseTribenoside Impurity 1（Tribenoside EP Impurity A）3,5,6-O-Tribenzyl-1,2-O-isopropylidene-D-glucofuranose
1,2-O-(1-Methylethylidene)-3,5,6-tris-O-(phenylmethyl)-alpha-D-glucofuranoseALPHA-D-GLUCOFURANOSE, 1,2-O-(1-METHYLETHYLIDENE)-3,5,6-TRIS-O-(PHENYLMETHYL)-258-868-3(3AR,5R,6S,6aR)-6-(benzyloxy)-5-((R)-1,2-bis(benzyloxy)ethyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-D-glucofuranose3,5,6-Tri-O-benzyl-1,2-O-Isopropylidene-a-D-glucofuranose(3aR,5R,6S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxoleTribenoside EP Impurity A
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 55.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 637
물리화학적 성질
- 끓는 점
- 589.7 · 589.7±50.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 주요 응용
- 의약품(소분자)
- InChIKey
- RNPMTPOOMRPILB-XYPQWYOHSA-N
- SMILES
- [C@]12([H])OC(C)(C)O[C@@]1([H])O[C@]([H])([C@@H](COCC1C=CC=CC=1)OCC1=CC=CC=C1)[C@@H]2OCC1C=CC=CC=1 |&1:0,7,10,12,30,r|
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 50% (2 of 4) of reports.
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P316, P318, P321, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: 3,5,6-tri-O-.benzyl-1,2-O-isopropylidene-α-D-glucofuranose (EC: 258-868-3)
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도1,2-O-Isopropylidene-3,5,6-tri-O-benzyl-α-D-glucofuranose can be used in cancer treatment as it exhibits antitumor and antiproliferative activity.
상·하류 제품 정보
하류 제품
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