CAS 71989-14-5 Fmoc-L-Asp(OtBu)-OH (HCID 2724635)

기본 정보

CAS: 71989-14-5
표준 SMILES: CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: FODJWPHPWBKDON-IBGZPJMESA-N
분자식: C23H25NO6
평균 분자량: 411.4 g/mol
단동위원소 질량: 411.16818752

이름 및 식별자

우선 이름: Fmoc-L-Asp(OtBu)-OH
IUPAC: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
영어명: Fmoc-Asp(OtBu)-OH
분자식: C23H25NO6
분자량: 411.45

이름 및 동의어

Fmoc-L-Asp(OtBu)-OHDTXSID001315581RefChem:599545DTXCID201745481Fmoc-Asp(OtBu)-OH(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acidMFCD00037131Fmoc-L-Aspartic acid beta-tert-butyl esterFmoc-L-aspartic acid 4-tert-butyl esterFmoc-Asp(Obu)-OH(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid(2S)-4-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanoic acid

이름 더 보기

FMOC-ASP(TBU)-OHFMOC-L-ASP(TBU)-OHFmoc-Asp(OtBu)-0HFomc-Asp(OtBu)-OH4-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartate

AKOS015924105Fmoc-Asp(OBut)M03404L-aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester4-tert-Butyl N-(fluoren-9-ylmethoxycarbonyl)-L-aspartateFmoc-Asp(Ot-Bu)-OHN-9-Fluorenylmethyloxycarbonyl-L-aspartic acid beta-t-butyl ester4-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-oxobutanoic acid

데이터베이스 식별자

CAS: 71989-14-5
PubChem CID: 2724635
DTXSID: DTXSID001315581
ChEMBL: CHEMBL4633466
UNII: JHQ6MY724T
Nikkaji: J295.106A

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 102 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 9
무거운 원자 수: 30
형식 전하: 0
복잡도: 620

물리화학적 성질

녹는점: 148 · 148-150 °C (dec.)
끓는 점: 530.45 °C · 530.45°C (rough estimate)
밀도: 1.2498 · 1.2498 (rough estimate)
굴절률: -25 ° · -25 ° (C=1, DMF)
저장 조건: 2 · 2-8°C
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
산도 계수 (pKa): 3.57 · 3.57±0.23(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 물에 약간 용해됩니다.
BRN: 3635671 · 3635671
주요 응용: 펩타이드 합성
InChI: 1S/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1
InChIKey: FODJWPHPWBKDON-IBGZPJMESA-N
SMILES: CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c3ccccc13)C(O)=O

화학적 성질 · 1건

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29242990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36/37/39-27-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도L-Aspartic acid is a nonessential amino acid that is used to biosynthesize other amino acids within the human body.

일반 설명Fmoc-Asp(OtBu)-OH is a white to off-white solid, it can be used for peptide synthesis.

제조 방법

Fmoc-Asp(OtBu)-OH was prepared by substitution reaction with 9-fluorenylmethyl chloroformate from L-aspartic acid 4-tert-butyl ester.

상·하류 제품 정보

상류 원료

하류 제품

FMOC-아스파티몰(OTBU)안지오텐신I,인간

화합물 노트

불러오는 중…

Fmoc-L-Asp(OtBu)-OH