기본 정보
- CAS
380460-37-7- 표준 SMILES
CC(C)(C)OC(=O)C[C@H]1C[C@@H](CS(=O)(=O)c2nnnn2-c2ccccc2)OC(C)(C)O1- InChIKey
QAFXEEKHWKXHQY-CVEARBPZSA-N- 분자식
- C20H28N4O6S
- 평균 분자량
- 452.5 g/mol
- 단동위원소 질량
- 452.1729558
이름 및 식별자
- 우선 이름
- Tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(1-phenyl-1H-terazol-5-ylsulfonyl)methyl]-1,3-dioxan-4-YL]acetate
- IUPAC
- tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfonylmethyl]-1,3-dioxan-4-yl]acetate
- 영어명
- tert-Butyl 2-[(4R,6S)-2,2-Dimethyl-6-[(1-phenyl-1H-terazol-5-ylsulfonyl)methyl]-1,3-dioxan-4-yl]acetate
- 분자식
- C20H28N4O6S
- 분자량
- 452.53
이름 및 동의어
380460-37-7TERT-BUTYL 2-[(4R,6S)-2,2-DIMETHYL-6-[(1-PHENYL-1H-TERAZOL-5-YLSULFONYL)METHYL]-1,3-DIOXAN-4-YL]ACETATETert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfonylmethyl]-1,3-dioxan-4-yl]acetate(4S,6R)-2,4,6-Trideoxy-3,5-O-(1-methylethylidene)-6-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]-D-erythro-2,4,6-Trideoxy-3,5-O-(1-methylethylidene)-6-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]-D-erythro-hexanoic Acid 1,1-Dimethylethyl Ester;SCHEMBL3181492C20H28N4O6SMFCD09840160PD207793DB-245435Tert-butyl 2-[(4r,6s)-2,2-dimethyl-6-[(1-phenyl-1H-tetrazol-5-ylsulfonyl)methyl]-1,3-dioxan-4-yl]acetate2,4,6-Trideoxy-3,5-O-(1-Methylethylidene)-6-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]-D-erythro-hexonic Acid 1,1-DiMethylethyl Ester
이름 더 보기
2,4,6-Trideoxy-3,5-O-(1-methylethylidene)-6-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]-D-erythro-hexanoic Acid 1,1-Dimethylethyl EsterD-erythro-Hexonic acid, 2,4,6-trideoxy-3,5-O-(1-methylethylidene)-6-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
380460-37-7- PubChem CID
- 10182533
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 131 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 727
물리화학적 성질
- 녹는점
- 136 · 136-138oC
- 끓는 점
- 584.9 · 584.9±48.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- -0.77 · -0.77±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학적 성질
White Solid
화학 및 산업
응용 분야
용도A reagent for Julia coupling.
공급사8 곳
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