N-Boc-L-Leucine Hydrate

HCID 12373896CAS 200936-87-4

기본 정보

표준 SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.O
InChIKey: URQQEIOTRWJXBA-QRPNPIFTSA-N
분자식: C11H23NO5
평균 분자량: 249.3 g/mol
단동위원소 질량: 249.15762284

이름 및 식별자

우선 이름: N-Boc-L-Leucine Hydrate
IUPAC: (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
영어명: N-(tert-Butoxycarbonyl)-L-leucine
분자식: C11H23NO5
분자량: 249.30402

이름 및 동의어

N-Boc-L-leucine hydrateRefChem:829342692-149-9200936-87-4BOC-LEU-OH H2O(S)-2-((tert-Butoxycarbonyl)amino)-4-methylpentanoic acid hydrateBoc-L-Leucine hydrateMFCD00065582L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, hydrate (1:1)Boc-Leu-OH.H2OC11H23NO5Boc-Leu-OH inverted exclamation mark currencyH2O

이름 더 보기

Boc-Leu-OH . HON-BOC-L-Leucine.H2OValine Impurity 161L-Leucine-d7-N-t-BOC H2OL-Leucine-d3-N-t-BOC H2OBoc-Leu-OH. HO NovabiochemBOC-LEU-OH MIDDOT H2O 100 G-4-methylpentanoic acid hydrateBOC-L-Leucine monohydrate, 99+%(Tert-Butoxy)Carbonyl Leu-OH·H2O

N-(tert-Butoxycarbonyl)-L-leucine monohydratet-butoxycarbonyl-l-leucine hydrateAKOS015923284N-(tert-butoxycabonyl)-L-leucine monohydrateN-t-butoxycarbonyl-(L)-leucine mono-hydrate(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoic acid hydrateBoc-Leu-OHH2O

데이터베이스 식별자

CAS: 200936-87-4
PubChem CID: 12373896
DTXSID: DTXSID001378343
ChEMBL: CHEMBL1222168
EC Number: 692-149-9

물성

구조 계산 물성

극성 표면적: 76.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 17
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 85 · 85-87 °C(lit.)
저장 조건: 30 °C · Store below +30°C.
용해도: almost transparency in Acetic acid
물리적 상태: 반짝이는 결정성 분말
색상: 하얀색
주요 응용: 펩타이드 합성
InChI: InChI=1/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/s3
InChIKey: MDXGYYOJGPFFJL-SBYBRXNCNA-N
SMILES: C(O)(=O)[C@H](CC(C)C)NC(OC(C)(C)C)=O |&1:3,r|

화학적 성질

white shiny crystalline powder

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 2924 19 00
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명The product number for this product was previously 04-12-0005.To obtain a certificate of analysis (CoA) of a lot that begins with the letter “A”, please select the option in the right hand menu “Request a COA for Lot#s starting with A”.