기본 정보
- CAS
5605-46-9- 표준 SMILES
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2CO)cc1- InChIKey
RBSLQBNFZCEBJT-WDEREUQCSA-N- 분자식
- C12H17NO4S
- 평균 분자량
- 271.33 g/mol
- 단동위원소 질량
- 271.08782902
이름 및 식별자
- 우선 이름
- (3R,5S)-5-(hydroxymethyl)-1-tosylpyrrolidin-3-ol
- IUPAC
- (3R,5S)-5-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
- 영어명
- (3R,5S)-5-(hydroxymethyl)-1-tosylpyrrolidin-3-ol
- 분자식
- C12H17NO4S
- 분자량
- 271.33
이름 및 동의어
(3R,5S)-5-(hydroxymethyl)-1-tosylpyrrolidin-3-ol5605-46-9(3R,5S)-5-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-olorb3021604SCHEMBL9211270DTXSID40460604RBSLQBNFZCEBJT-WDEREUQCSA-NTYD-02416AKOS000279979DB-344688(2S, 4R)-2-Hydroxymethyl-4-hydroxy-1-(4-toluenesulfonyl)-pyrrolidine(2S,4R)-1-(4-toluenesulfonyl)-2-hydroxymethyl-4-hydroxy pyrrolidine
이름 더 보기
RMA-68914002-2SN-Tosylhydroxy-L-prolinol(3R)-5-(hydroxyMethyl)-1-tosylpyrrolidin-3-oltrans-(-)-4-Hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-methanol(2S,4R)-4-Hydroxy-1-[(4-methylphenyl)sulfonyl]pyrrolidine-2-...(3R,5S)-5-(hydroxymethyl)-1- tosylpyrrolidin-3-ol (Intermediate)(2S,4R)-4-Hydroxy-1-[(4-methylphenyl)sulfonyl]pyrrolidine-2-methanol(2S,4R)-4-Hydro×y-1-[(4-Methylphenyl)sulfonyl]pyrrolidine-2-Methanol
(3R,5S)-5-(Hydroxymethyl)-1-(4-methylbenzene-1-sulfonyl)pyrrolidin-3-ol(3R,5S)-5-(hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol
데이터베이스 식별자
- CAS
5605-46-9- PubChem CID
- 11265723
- DTXSID
DTXSID40460604- Nikkaji
- J2.632.073I
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 86.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 370
물리화학적 성질
- 녹는점
- 132 · 132-133℃
- 밀도
- 1.364 · 1.364
- 저장 조건
- 2 · 2-8°C
안전 및 규제
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
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