기본 정보
- CAS
71989-18-9- 표준 SMILES
CC(C)(C)OC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
OTKXCALUHMPIGM-FQEVSTJZSA-N- 분자식
- C24H27NO6
- 평균 분자량
- 425.5 g/mol
- 단동위원소 질량
- 425.18383758
이름 및 식별자
- 우선 이름
- Fmoc-L-glutamic acid 5-tert-butyl ester
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
- 영어명
- Fmoc-L-glutamic acid 5-tert-butyl ester
- 분자식
- C24H27NO6
- 분자량
- 425.47
이름 및 동의어
71989-18-9Fmoc-L-glutamic acid 5-tert-butyl esterFmoc-Glu(OtBu)-OH(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acidMFCD00037135(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid(2S)-5-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-pentanoic acidN-Fmoc-L-glutamic acid 5-tert-butyl esterHY-Y0134AS-14175Fmoc-Glu(OtBu)-OH, >=98.0% (HPLC)(2S)-5-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-oxopentanoic acid
이름 더 보기
FMOC-GLU(TBU)-OHFMOC-L-GLU(TBU)-OH5-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-glutamate HydrateFomc-Glu(OtBu)-OH276-253-8Fomc-Glu(Ou(OtBu)-OH
L-glutamic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester5-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-glutamateFmoc-L-Glu(OtBu)-OHM03409fmoc-glu(otbu)Fmoc-Glu(tBu)Fmoc-L-Glu(OtBu)Fmoc-Glu(OtBu)-OH.nH2O
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 635
물리화학적 성질
- 녹는점
- 83 · 83-90 °C
- 끓는 점
- 633.5 · 633.5±55.0 °C(Predicted)
- 밀도
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- 굴절률
- -4 ° · -4 ° (C=1, 80% AcOH)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 3.7 · 3.70±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
- BRN
- 3636375 · 3636375
- 주요 응용
- 펩타이드 합성
- InChIKey
- OTKXCALUHMPIGM-FQEVSTJZSA-N
- SMILES
- C(O)(=O)[C@H](CCC(OC(C)(C)C)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
화학적 성질
White powder
안전 및 규제
안전 데이터
- wgk
- 3
- HS 번호
- 2924 29 70
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-27-36/37/39-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Fmoc-L-glutamic acid 5-tert-butyl ester is a Fmoc derivative with an N-substituted tert-butyl ester molecule. It is white or gray-white solid crystals at room temperature and pressure, poor solubility in water and insoluble in petroleum ether, but soluble in ethyl acetate, acetic acid and N,N-dimethylformamide.
용도Fmoc-Glu(OtBu)-OH (Fmoc-L-glutamic acid 5-tert-butyl ester) can be employed as a: Ligand in the synthesis of cis-substituted cyclopropane carboxylic acids via C-H activation of cyclopropane carboxamides using Pd catalyst. Linker in the preparation of multi-small molecule-conjugated PTX (paclitaxel) derivatives. It can be also used as a building block in the preparation of stapled α-helical peptides , and peptide C-terminal thioesters .
일반 설명Fmoc-L-glutamic acid 5-tert-butyl ester is a protected building block used for the introduction of glutamic acid into peptides.
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