Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(2R,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acid
FMOC-D-ILE · Fmoc-L-isoleucine · Fmoc-D-lle-OH · FMOC-D-ISOLEUCINE · N-Fmoc-D-isoleucine · Fmoc-D-IL · FMOC-D-ILE-OH · Fmoc-D-lIe-OH
![(2R,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acid 분자 구조식](/img/chemical/6992515.png)
식별자 및 물리적 특성
| CAS No. | 143688-83-9 |
|---|---|
| 분자식 | C21H23NO4 |
| 평균 분자량 | 353.4 g/mol |
| 단동위원소 질량 | 353.16270821 g/mol |
| SMILES | CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O |
| InChIKey | QXVFEIPAZSXRGM-BFUOFWGJSA-N |
| PubChem CID | 6992515 |
| EC No. | 812-041-9 |
화학 및 물리적 성질
| XLogP | 4.4 |
|---|---|
| 극성 표면적 | 75.6 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 26 |
| 형식 전하 | 0 |
| 복잡도 | 486 |
| 녹는점 | 143-145°C |
| 끓는 점 | 559.8±33.0 °C(Predicted) |
| 밀도 | 1+-.0.06 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,2-8°C |
| 용해도 | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 3.92±0.22(Predicted) |
| 색상 | White to off-white |
| 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-/m1/s1 |
| InChIKey | QXVFEIPAZSXRGM-BFUOFWGJSA-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 solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 2924 29 70 |
| F 고인화성물질 | 10 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
N-Fmoc-D-isoleucine is the N-Fmoc-protected form of D-Isoleucine (I820210). D-Isoleucine is not biosynthesized in the human body and is therefore categorized as an essential amino acid that must be obtained through diet. It is also an important building block that is used in the formation of hemoglobin in humans.