CAS 156474-21-4 erythro-N-Boc-D-phenylalanine epoxide (HCID 11357515)

기본 정보

CAS: 156474-21-4
표준 SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H]1CO1
InChIKey: NVPOUMXZERMIJK-OLZOCXBDSA-N
분자식: C15H21NO3
평균 분자량: 263.33 g/mol

이름 및 식별자

우선 이름: erythro-N-Boc-D-phenylalanine epoxide
IUPAC: tert-butyl N-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate
영어명: (2R,3R)-3-(N-Boc-amino)-1-oxirane-4-phenylbutane
분자식: C15H21NO3
분자량: 263.33

이름 및 동의어

erythro-N-Boc-D-phenylalanine epoxide98818-34-9156474-21-4tert-Butyl ((R)-1-((R)-oxiran-2-yl)-2-phenylethyl)carbamateTERT-BUTYL N-[(1R)-1-[(2R)-OXIRAN-2-YL]-2-PHENYLETHYL]CARBAMATEMFCD08061627Atazanavir Impurity 5Atazanavir Impurity 19P7FW45A6UQWW76UK86URSCHEMBL496136NVPOUMXZERMIJK-OLZOCXBDSA-N

이름 더 보기

Darunavir Impurity3R)-3-(N-Boc-amino)-1-oxirane-4-phenylbutane(2R,3R)-3-(N-Boc-amino)-1-oxirane-4-phenylbutaneerythro-N-Boc-D-phenylalanine epoxide≥ 98% (HPLC)erythro-N-(Tert-Butoxy)Carbonyl D-phenylalanine epoxiderel-Tert-butyl ((R)-1-((R)-oxiran-2-yl)-2-phenylethyl)carbamatetert-Butyl rel-((S)-1-((S)-oxiran-2-yl)-2-phenylethyl)carbamateCarbamic acid, [(1R)-1-(2R)-oxiranyl-2-phenylethyl]-, 1,1-dimethylethyl ester, rel- (9CI)

tert-Butyl((R)-1-((R)-oxiran-2-yl)-2-phenylethyl)carbamateAKOS016843906AC-29006AC-30256PS-12900DB-217460G78819(2R,3R)-1,2-Epoxy-(Boc amino)-4-phenylbutane

데이터베이스 식별자

CAS: 156474-21-4、98818-34-9
PubChem CID: 11357515
UNII: P7FW45A6UQ、WW76UK86UR
EC Number: 118-746-1

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 19
형식 전하: 0
복잡도: 305

물리화학적 성질

끓는 점: 398.837 · 398.837±25.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.118 · 1.118±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 12.191 · 12.191±0.46(predicted)

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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 CategoriesAcute Tox. 4 (100%)

화학 및 산업

공급사15 곳

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]

深圳市洛克医药科技有限公司13128912434 · [email protected]

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

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