(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid

HCID 7017910

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 129460-09-9
표준 SMILES: CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIKey: VZXQYACYLGRQJU-IBGZPJMESA-N
분자식: C23H25NO6
평균 분자량: 411.4 g/mol
단동위원소 질량: 411.16818752

이름 및 식별자

우선 이름: (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid
IUPAC: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
영어명: L-Fmoc-Aspartic acid alpha-tert-butyl ester
분자식: C23H25NO6
분자량: 411.45

이름 및 동의어

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acidRefChem:407963675-834-7fmoc-asp-otbu129460-09-9Fmoc-Asp(OH)-OtBuL-Fmoc-aspartic acid alpha-t-butyl esterMFCD00065631(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acidN-Fmoc-L-aspartic Acid 1-tert-Butyl Ester(3S)-4-tert-butoxy-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-butanoic acidAKOS032960715

이름 더 보기

FMOC-ASP-OBUT4-I-PheFmoc-Asp-OBuN-Fmoc-L-aspartic AcFmoc-Asp(OtBu)-OH ,99%FMOC-ASPARTIC ACID-OTBU

HY-W010959AS-15816EN300-1556502Fmoc-L-Asp-OtBul-fmoc-aspartic acid alpha-tert-butyl esterL-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(1,1-dimethylethyl) esterFmoc Asp-OtBuN-Fmoc-L-aspartic Acid 1-(tert-Butyl) Ester

데이터베이스 식별자

CAS: 129460-09-9
PubChem CID: 7017910
DTXSID: DTXSID20426920
UNII: 729PC2PY9H
EC Number: 675-834-7
Nikkaji: J1.085.238B

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: 90 · 90-98°C
끓는 점: 617.4 · 617.4±55.0 °C(Predicted)
밀도: 1.251 · 1.251±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 1 % · Soluble in water or 1% acetic acid
산도 계수 (pKa): 4.08 · 4.08±0.19(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
주요 응용: 펩타이드 합성
InChI: 1S/C23H25NO6/c1-23(2,3)30-21(27)19(12-20(25)26)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,25,26)/t19-/m0/s1
InChIKey: VZXQYACYLGRQJU-IBGZPJMESA-N
SMILES: N([C@@H](CC(=O)O)C(=O)OC(C)(C)C)C(=O)OCC1c2c(cccc2)c3c1cccc3

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: WGK 2 water endangering
HS 번호: 29224999
safety_code: 24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Fmoc-Asp-OtBu, is an amino acid building block used in peptide synthesis. With a growing peptide drug market the fast, reliable synthesis of peptides is of great importance.