기본 정보
- CAS
1228663-93-1- 표준 SMILES
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(N2CCC(CO)C2)nc1F- InChIKey
LEWZNGHVDNDITL-PXWJKWRZSA-N- 분자식
- C21H30FN3O5
- 평균 분자량
- 423.5 g/mol
- 단동위원소 질량
- 423.21694923
이름 및 식별자
- 우선 이름
- (trans)-1-Tert-butyl 3-methyl 4-(2-fluoro-6-(3-(hydroxymethyl)pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-dicarboxylate
- IUPAC
- 1-O-tert-butyl 3-O-methyl (3S,4R)-4-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolidine-1,3-dicarboxylate
- 영어명
- (trans)-1-tert-Butyl 3-methyl 4-(2-fluoro-6-(3-(hy droxymethyl)pyrrolidin-1-yl)pyridin-3-yl)pyrrolid
- 분자식
- C21H30FN3O5
- 분자량
- 423.48
이름 및 동의어
1228663-93-1(trans)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(3-(hydroxymethyl)pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-dicarboxylateMFCD16628216(TRANS)-1-TERT-BUTYL 3-METHYL 4-(2-FLUORO-6-(3-(HYDROXYMETHYL)PYRROLIDIN-1-YL)PYRIDIN-3-YL)PYRROLIDINE 1,3-DICARBOXYLATE1-O-tert-butyl 3-O-methyl (3S,4R)-4-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl]pyrrolidine-1,3-dicarboxylate1-(Tert-butyl) 3-methyl (3S,4R)-4-(2-fluoro-6-(3-(hydroxymethyl)pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-dicarboxylateC21H30FN3O5(trans)-1-tert-Butyl 3-methyl 4-(2-fluoro-6-(3-(hydroxymethyl)pyrrolidin-1-yl)pyridin-3-yl)pyrrolidiCS-0456390(trans)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(3-(hydroxymethyl)pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-dicarboxylate, AldrichCPR(TRANS)-1-TERT-BUTYL3-METHYL4-(2-FLUORO-6-(3-(HYDROXYMETHYL)PYRROLIDIN-1-YL)PYRIDIN-3-YL)PYRROLIDINE1,3-DICARBOXYLATEO1-tert-butyl O3-methyl (3S,4R)-4-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridyl]pyrrolidine-1,3-dicarboxylate
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 92.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 628
물리화학적 성질
- 끓는 점
- 556.051 · 556.051±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.248 · 1.248±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 14.932 · 14.932±0.10(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
공급사4 곳
관련 반응
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