L-Homocystine
H-HoCys-OH · (2S,2'S)-4,4'-Disulfanediylbis(2-aMinobutanoic acid) · (H-HCY-OH)2 · (H-Hcy-OH)? · H-L-HCystine · (H-HOCYS-OH)2 · H-L-HOCYSTINE · (H-Hcys-OH) 2
식별자 및 물리적 특성
| CAS No. | 626-72-2 |
|---|---|
| 분자식 | C8H16N2O4S2 |
| 평균 분자량 | 268.4 g/mol |
| 단동위원소 질량 | 268.05514934 g/mol |
| SMILES | N[C@@H](CCSSCC[C@H](N)C(=O)O)C(=O)O |
| InChIKey | ZTVZLYBCZNMWCF-WDSKDSINSA-N |
| PubChem CID | 439579 |
| ChEBI | CHEBI:141698 |
| EC No. | 210-962-5 |
| DTXSID | DTXSID101014691 |
화학 및 물리적 성질
| XLogP | -5.6 |
|---|---|
| 극성 표면적 | 177 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 216 |
| 녹는점 | 281-284 °C (dec.)(lit.) |
| 끓는 점 | 507.6±50.0 °C(Predicted) |
| 밀도 | 1.443±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | H2O : 5 mg/mL (18.63 mMultrasonic and adjust pH to 3 with H2O)DMSO : 1 mg/mL (3.73 mMultrasonic and adjust pH to 5 with HCl) |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 1.90±0.10(Predicted) |
| 색상 | Off-white to light yellow |
| BRN | 1728583 |
| 주요 응용 | 세포 분석펩타이드 합성 |
| InChI | InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1 |
| InChIKey | ZTVZLYBCZNMWCF-WDSKDSINSA-N |
| SMILES | S(CC[C@H](N)C(O)=O)SCC[C@H](N)C(O)=O |
| EPA | L-Homocystine (626-72-2) |
화학적 성질
L-homocysteine is an aliphatic amino acid with the molecular formula (C8H16N2O4S2). It is a white powder with an acidic taste and is easily soluble in water. It has limited solubility in ethanol. L-homocysteine has a sulfhydryl group on its side chain, which allows it to form disulfide bonds with other L-homocysteine residues in proteins. This feature contributes to the stable three-dimensional structure of proteins. As a result, L-homocysteine finds extensive applications in industries such as pharmaceuticals, food, feed, and cosmetics.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29309090 |
| 안전 문구(S) | 22-24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Increased levels lead to hyperhomocysteinemia; a cardiovascular risk factor in prediction of coronary heart disease as well as being associated with congenital birth defects, pregnancy complications and cancer.