기본 정보
- CAS
37002-45-2- 표준 SMILES
Cc1ccc(S(=O)(=O)OC[C@@H]2OC(C)(C)O[C@H]2COS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
KPFDKWNWYAXRNJ-PMACEKPBSA-N- 분자식
- C21H26O8S2
- 평균 분자량
- 470.6 g/mol
- 단동위원소 질량
- 470.10690979
이름 및 식별자
- 우선 이름
- 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, 4,5-bis(4-methylbenzenesulfonate), (4S,5S)-
- IUPAC
- [(4S,5S)-2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
- 영어명
- (-)-1,4-Di-O-tosyl-2,3-O-isopropylidenethreitol
- 분자식
- C21H26O8S2
- 분자량
- 470.56
이름 및 동의어
37002-45-2(4S-trans)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethyl bis(toluene-p-sulphonate)RefChem:10529111,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, 4,5-bis(4-methylbenzenesulfonate), (4S,5S)-253-306-3(-)-1,4-di-O-Tosyl-2,3-O-isopropylidene-L-threitol((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate)MFCD00003212C21H26O8S21,4-di-o-tosyl-2,3-o-isopropylidene-l-threitol[(4S,5S)-2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate(4S,5S)-(-)-4,5-Bis(tosyloxymethyl)-2,2-dimethyl-1,3-dioxolane
이름 더 보기
(4R,5R)-(-)-O-ISOPROPYLIDENE-2,3-DIHYDROXY-1,4-BIS(P-TOSYL)BUTANE95.0%(LC)Gal[2346Ac]β(1-3)GalN3[46Bzd]-β-MP>Neu5Ac[1Me,4789Ac]α(2-3)Gal[246Bz]-β-MP>2,3-ISOPROPYLIDENE-L-THREITOL 1,4-DITOSYLATE(-)-1,4-Ditosyl-2,3,O-isopropylidene-L-threitol(-)-1,4-Di-O-tosyl-2,3-O-isopropyledenethreitol(-)-1,4-Di-O-tosyl-2,3-O-isopropylidenethreitol
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 714
물리화학적 성질
- 녹는점
- 90 · 90-92 °C(lit.)
- 끓는 점
- 542.03 °C · 542.03°C (rough estimate)
- 밀도
- 1.3082 · 1.3082 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 디클로로메탄 또는 에틸 아세테이트에 용해됨
- 물리적 상태
- 가루
- 색상
- 하얀색
- BRN
- 99610 · 99610
- 안정성
- 냉각
- InChI
- InChI=1/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/s3
- InChIKey
- KPFDKWNWYAXRNJ-XEBFJNFFNA-N
- SMILES
- [C@@H]1(COS(=O)(=O)C2C=CC(C)=CC=2)OC(C)(C)O[C@H]1COS(=O)(=O)C1C=CC(C)=CC=1 |&1:0,18,r|
화학적 성질
white to cream crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, bis(4-methylbenzenesulfonate), (4S,5S)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2932.99.7000
- safety_code
- 24/25
화학 및 산업
응용 분야
용도1,4-Di-O-tosyl-2,3-O-isopropylidene-L-threitol has been used in coordination chemistry of (R,R)-DIPPOP.
공급사59 곳
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]
上海莉凯化工技术有限公司16628776521 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
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