N-(tert-Butyloxycarbonyl)-D-methionine

HCID 111051

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5241-66-7
표준 SMILES: CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: IMUSLIHRIYOHEV-SSDOTTSWSA-N
분자식: C10H19NO4S
평균 분자량: 249.33 g/mol
단동위원소 질량: 249.10347926

이름 및 식별자

우선 이름: N-(tert-Butyloxycarbonyl)-D-methionine
IUPAC: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
영어명: BOC-D-Methionine
분자식: C10H19NO4S
분자량: 249.33

이름 및 동의어

N-tert-Butoxycarbonyl-D-methionineEINECS 226-043-7N-(TERT-BUTYLOXYCARBONYL)-D-METHIONINEDTXSID401285150RefChem:828708DTXCID501715837226-043-75241-66-7Boc-D-Met-OHBoc-D-methionineN-Boc-D-methionineN-(tert-Butoxycarbonyl)-D-methionine

이름 더 보기

BOC-D-METn-box-d-methionineBoc-D-methionine99%BOC-D-Methionine,98%N-Boc-D-methionine, 98+%

MFCD00038256(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid(TERT-BUTOXYCARBONYL)-D-METHIONINED-METHIONINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-(R)-2-((tert-Butoxycarbonyl)amino)-4-(methylthio)butanoic acidN-t-butyloxycarbonyl D-methionine(2R)-2-{[(tert-butoxy)carbonyl]amino}-4-(methylsulfanyl)butanoic acidEN300-154390

데이터베이스 식별자

CAS: 5241-66-7
PubChem CID: 111051
DTXSID: DTXSID401285150
UNII: SAA5B2WM8K
EC Number: 226-043-7
Nikkaji: J269.482D

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 101 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 16
형식 전하: 0
복잡도: 250

물리화학적 성질

녹는점: 47 · 47-50 °C
끓는 점: 415.5 · 415.5±40.0 °C(Predicted)
밀도: 1.16 · 1.160±0.06 g/cm3(Predicted)
굴절률: 22 ° · 22 ° (C=1, MeOH)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 3.83 · 3.83±0.10(Predicted)
색상: 흰색에서 황백색까지
BRN: 4294122 · 4294122
주요 응용: 펩타이드 합성
InChI: 1S/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey: IMUSLIHRIYOHEV-SSDOTTSWSA-N
SMILES: CSCC[C@@H](NC(=O)OC(C)(C)C)C(O)=O

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2930 90 98
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도N-Boc-D-methionine is an N-Boc-protected form of D-Methionine (M260550). D-Methionine is an isomer of L-Methionine (M260440), and is known to be a cytoprotectant against Cisplatin (C499500), an anticancer agent. D-Methionine is also used to prevent noise- and drug-induced hearing loss, as well as hair loss (all of which may also be caused by Cisplatin or aminoglycosides).