N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine
기본 정보
- CAS
71989-23-6- 표준 SMILES
CCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
QXVFEIPAZSXRGM-UHFFFAOYSA-N- 분자식
- C21H23NO4
- 평균 분자량
- 353.4 g/mol
이름 및 식별자
- 우선 이름
- N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
- 영어명
- Fmoc-Ile-OH
- 분자식
- C21H23NO4
- 분자량
- 353.41
이름 및 동의어
EINECS 276-255-9NSC 334289RefChem:823141276-255-9N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-isoleucineN-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylpentanoic acid2250198-69-5Fmoc-D-Ile-OH2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acidNSC-334289NSC334289
이름 더 보기
FMOC-ILE-OHFMOC-ILEFmoc-lle-OHFMOC-L-ILE-OHFMoc-IIe-OHFMOC-L-ILEFMOC-L-IsoleucineFmoc-lleFMOC-L-IIe-OHFMOC-ISOLEUCINE
N-alpha-Fmoc-L-isoleucineSCHEMBL1564185FDI-1856-PIFLI-1724-PI2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoic acid2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acidMFCD01101522AKOS001309880
데이터베이스 식별자
- CAS
71989-23-6- PubChem CID
- 100103
- EC Number
- 276-255-9
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 486
물리화학적 성질
- 녹는점
- 145 · 145-147 °C(lit.)
- 끓는 점
- 486.83 °C · 486.83°C (rough estimate)
- 밀도
- 1.2107 · 1.2107 (rough estimate)
- 굴절률
- -12 ° · -12 ° (C=1, DMF)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 메탄올에 용해됩니다(매우 희미한 탁도).
- 물리적 상태
- 미세 결정성 분말
- 산도 계수 (pKa)
- 3.92 · 3.92±0.22(Predicted)
- 색상
- 하얀색
- BRN
- 4716717 · 4716717
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19-/m0/s1
- InChIKey
- QXVFEIPAZSXRGM-DJJJIMSYSA-N
- SMILES
- C(O)(=O)[C@H]([C@@H](C)CC)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
화학적 성질
white fine crystalline powder
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 60% (6 of 10) of all reports.
Warning
H302 (20%): 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 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
안전 데이터
- wgk
- 3
- HS 번호
- 2924 29 70
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-36/37/39-27-26
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Fmoc-Ile-OH is an isoleucine derivative. It is white fine crystalline powder and belong to Fmoc materials. Fmoc-Leu-OH forms flower-like morphology at both low and high concentration under room temperature which changes to small tube-like structure on heating[1].
용도N-Fmoc-L-isoleucine is an unnatural amino acid used for peptidomimetics. It is also used as a pharmaceutical intermediate.
일반 설명The product number for this product was previously 04-12-1024.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”.
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