CAS 71989-23-6 N-Fmoc-L-isoleucine (HCID 2724629)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 71989-23-6
표준 SMILES: CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: QXVFEIPAZSXRGM-DJJJIMSYSA-N
분자식: C21H23NO4
평균 분자량: 353.4 g/mol
단동위원소 질량: 353.16270822

개요

Fmoc-L-Isoleucine is an isoleucine derivative.

이름 및 식별자

우선 이름: N-Fmoc-L-isoleucine
IUPAC: (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
영어명: Fmoc-Ile-OH
분자식: C21H23NO4
분자량: 353.41

이름 및 동의어

N-Fmoc-L-isoleucineDTXSID801315561RefChem:830044DTXCID401745463Fmoc-Ile-OHFmoc-L-isoleucine71989-23-6Fmoc-L-Ile-OHFmoc-lle-OHMFCD00037125N-(9-Fluorenylmethoxycarbonyl)-L-isoleucine(2S,3S)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-METHYLPENTANOIC ACID

이름 더 보기

FMOC-ILEFMoc-IIe-OHFMOC-L-ILEFmoc-lleFMOC-L-IIe-OHFMOC-ISOLEUCINE

(((9H-fluoren-9-yl)methoxy)carbonyl)-L-isoleucine(2S,3S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acidM03362L-Isoleucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-(2S,3S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-3-methylpentanoic acidN-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isoleucine;NSC-334289(2S,3S)-2-(((9-Fluorenylmethoxy)carbonyl)amino)-3-methylpentanoic Acid; Fmoc-L-Ile-OH; N-(9-Fluorenylmethoxycarbonyl)-L-isoleucine; N-(9-Fluorenylmethoxycarbonyl)isoleucine; N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isoleucine; NSC 334289

데이터베이스 식별자

CAS: 71989-23-6
PubChem CID: 2724629
DTXSID

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 75.6 Å²
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 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 · 3건

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”.