4-tert-Butyl N-((9H-Fluoren-9-ylmethoxy)carbonyl)-D-aspartate

HCID 7018816

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 112883-39-3
표준 SMILES: CC(C)(C)OC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: FODJWPHPWBKDON-LJQANCHMSA-N
분자식: C23H25NO6
평균 분자량: 411.4 g/mol

이름 및 식별자

우선 이름: 4-tert-Butyl N-((9H-Fluoren-9-ylmethoxy)carbonyl)-D-aspartate
IUPAC: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
영어명: Fmoc-D-Aspartic acid beta-tert-butyl ester
분자식: C23H25NO6
분자량: 411.45

이름 및 동의어

112883-39-34-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-aspartate4-tert-Butyl N-((9H-Fluoren-9-ylmethoxy)carbonyl)-D-aspartateRefChem:526767802-374-8Fmoc-D-Asp(OtBu)-OHfmoc-d-aspartic acid beta-tert-butyl ester(R)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-4-(TERT-BUTOXY)-4-OXOBUTANOIC ACIDMFCD00077050(2R)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid(2R)-4-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanoic acidM03405

이름 더 보기

tert DFMOC-D-ASP(OBUT)Fmoc-Asp(Trt)-OHFMOC-D-ASP(OBUT)-OHFmoc-D-Asp(OtBu)-OH 98%Fmoc-D-Asp(OtBu)-OH,BetaFMOC-D-ASPARTIC ACID(OTBU)

AKOS015892778HY-W013144Fmoc-D-aspartic acid 4-tert-butyl esterAS-12918B4619Fmoc-D-Asp(tBu)-OHFmoc-DAsp(OtBu)Fmoc-DAsp(OtBu)-OH

데이터베이스 식별자

CAS: 112883-39-3
PubChem CID: 7018816
UNII: 3M6GQJ6KS2
EC Number: 802-374-8

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: 98 · 98-101°C
끓는 점: 620.8 · 620.8±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
산도 계수 (pKa): 3.57 · 3.57±0.23(Predicted)
물리적 상태: powder to crystaline
색상: 흰색에서 거의 흰색
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-/m1/s1
InChIKey: FODJWPHPWBKDON-LJQANCHMSA-N
SMILES: C(O)(=O)[C@@H](CC(OC(C)(C)C)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H410 (97.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

안전 데이터

wgk: 3
ridadr: 3077
HS 번호: 29242990
risk_code: 50/53
hazard_code: N
safety_code: 60-61
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Fmoc-d-asp(otbu)-OH is used as a reactant for the solid-phase preparation of tripeptides with catalytic use in asymmetric preparation of nitroalkanals.