CAS 90776-58-2 (R)-2-[(3S,4S)-3-[(R)-1-(tert-Butyldimethylsilyloxy)ethyl]-2-oxoazetidin-4-yl]propionic acid (HCID 9882831)

기본 정보

CAS: 90776-58-2
표준 SMILES: C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)O
InChIKey: NNANGMFTFSNDLW-GWOFURMSSA-N
분자식: C14H27NO4Si
평균 분자량: 301.45 g/mol
단동위원소 질량: 301.17093488

이름 및 식별자

우선 이름: (R)-2-[(3S,4S)-3-[(R)-1-(tert-Butyldimethylsilyloxy)ethyl]-2-oxoazetidin-4-yl]propionic acid
IUPAC: (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoic acid
현지명: imipenem용사이드체인
영어명: Side chain for imipenem
분자식: C14H27NO4Si
분자량: 301.46

이름 및 동의어

90776-58-2(r)-2-[(3s,4s)-3-[(r)-1-(tert-butyldimethylsilyloxy)ethyl]-2-oxoazetidin-4-yl]propionic acidDTXSID90432351(R)-2-((3S,4S)-3-((R)-1-(tert-Butyldimethylsilyloxy)ethyl)-2-oxoazetidin-4-yl)propionic acidRefChem:210859DTXCID10383179(R)-2-((2S,3S)-3-((R)-1-((tert-Butyldimethylsilyl)oxy)ethyl)-4-oxoazetidin-2-yl)propanoic acid(3s,4s)-4-[(r)-1-carboxyethyl]-3-[(r)-1-(t-butyldimethylsilyloxy)ethyl]-2-azetidinone93711-85-4C14H27NO4Si(3S,4S)-3-[(R)-1-(tert-Butyldimethylsilyloxy)ethyl]-4-[(R)-1-carboxyethyl]-2-azetidinoneMFCD00272297

이름 더 보기

imipenem용사이드체인4-BMA1-BMAMAP(MVP)1-Bma Or 4-BmaMeropenem nucleusSide chain for iMipe-methylazetidin-2-one(3S,4S)-3-((R)-1-(...Meropenem Impurity 21

(2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoic acid(R)-2-((2S,3S)-3-((R)-1-((tert-Butyldimethylsilyl)oxy)ethyl)-4-oxoazetidin-2-yl)propanoicacid(R)-2-[(2S,3S)-3-[(R)-1-[(tert-Butyldimethylsilyl)oxy]ethyl]-4-oxo-2-azetidinyl]propanoic Acid(3S,4S)-3-((R)-(tert-Butyldimethyl-silyloxy)ethyl)-4((R)-carboxyethyl)-2-azetidinone4bmabeta-Methylazetidin-2-oneM73QT6DCU4SCHEMBL2328228

물성

구조 계산 물성

극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 20
형식 전하: 0
복잡도: 402

물리화학적 성질

녹는점: 146 · 146-147°C
끓는 점: 424.4 · 424.4±10.0 °C(Predicted)
밀도: 1.05 · 1.050±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 4.22 · 4.22±0.10(Predicted)
InChI: InChI=1/C14H27NO4Si/c1-8(13(17)18)11-10(12(16)15-11)9(2)19-20(6,7)14(3,4)5/h8-11H,1-7H3,(H,15,16)(H,17,18)/t8-,9-,10-,11-/s3
InChIKey: NNANGMFTFSNDLW-GWOFURMSSA-N
SMILES: [C@H]([C@@]1([H])NC(=O)[C@]1([H])[C@@H](C)O[Si](C)(C)C(C)(C)C)(C)C(=O)O |&1:0,1,6,8,r|