기본 정보
- CAS
45214-91-3- 표준 SMILES
COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
OHYMUFVCRVPMEY-ZETCQYMHSA-N- 분자식
- C11H19NO6
- 평균 분자량
- 261.27 g/mol
- 단동위원소 질량
- 261.12123733
이름 및 식별자
- 우선 이름
- (S)-2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid
- IUPAC
- (2S)-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
- 영어명
- Boc-Glu(OMe)-OH
- 분자식
- C11H19NO6
- 분자량
- 261.27
이름 및 동의어
(S)-2-((tert-Butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acidRefChem:407858863-129-9BOC-GLU(OME)-OH45214-91-3Boc-L-Glutamic acid gamma-methyl esterN-Boc-L-glutamic acid 5-methyl esterMFCD00190794L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-methyl ester(2S)-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acidBP-12380(2S)-2-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoic acid
이름 더 보기
N-Boc-L-glutamic acid-5-methylesterBoc-L-Glu(OMe)-OHt-Boc-L-Glu(OMe)-OHBOC-GLU(OME)-OH USP/EP/BP45214-91-3 BOC-GLU(OME)-OHCarglumic Acid Impurity 16N-Boc-L-glutamic acid 5-methylBOC-L-glutamate-5-methyl esterBoc-Glu(OMe)-OH Boc-Glu(OMe)-OH
EN300-1090628N-tert-Butoxycarbonylglutamic acid ?-methyl esterN-[(1,1-dimethylethoxy)carbonyl]-L-glutamic acid 5-methyl ester(25)-2-[(tert-butoxy)carbonylamino]-4-(methoxycarbonyl)butanoic acid(2S)-2-[(tert-butoxycarbonyl)amino]-5-methoxy-5-oxopentanoic acidAMY25476N-tert-Butoxycarbonylglutamic Acid gamma-Methyl Ester; N-[(1,1-Dimethylethoxy)carbonyl]-L-glutamic Acid 5-Methyl Ester;A2V5TMV62U
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 320
물리화학적 성질
- 녹는점
- 74 · 74-77 °C
- 끓는 점
- 428.4 · 428.4±40.0 °C(Predicted)
- 밀도
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.82 · 3.82±0.10(Predicted)
- 색상
- 하얀색
- InChI
- InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(14)15)5-6-8(13)17-4/h7H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t7-/m0/s1
- InChIKey
- OHYMUFVCRVPMEY-ZETCQYMHSA-N
- SMILES
- C(O)(=O)[C@H](CCC(OC)=O)NC(OC(C)(C)C)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.
Warning
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 21-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34334
Hazard Classes and CategoriesAcute Tox. 4 (40%)
안전 데이터
- HS 번호
- 2924190090
화학 및 산업
응용 분야
용도N-Boc-L-glutamic Acid 5-Methyl Ester is an intermediate used in the synthesis of Isodesmosine Chloride Hydrate (Synthetic) (I815051), which is a component of elastin and also it is extremely hygroscopic and must be stored over a desiccant such as silica gel.
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