Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
락토비온 산
락토비온산 · 락토바이오닉애씨드 · LACTOBIONIC ACID POWDER · Lactose acid · (2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanoic acid · Lactobionate · 4-O-BETA-D-GALACTOPYRANOSYL-D-GLUCONIC ACID · LactobionS
식별자 및 물리적 특성
| CAS No. | 96-82-2 |
|---|---|
| 분자식 | C12H22O12 |
| 평균 분자량 | 358.3 g/mol |
| 단동위원소 질량 | 358.11112613 g/mol |
| SMILES | O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO |
| InChIKey | JYTUSYBCFIZPBE-AMTLMPIISA-N |
| PubChem CID | 7314 |
| ChEMBL | CHEMBL3039602 |
| ChEBI | CHEBI:55481 |
| EC No. | 202-538-3 |
| DTXSID | DTXSID3048861 |
| 현지명 | 락토비온 산 |
화학 및 물리적 성질
| XLogP | -5 |
|---|---|
| 극성 표면적 | 218 |
| 수소 결합 공여자 수 | 9 |
| 수소 결합 수용자 수 | 12 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 24 |
| 형식 전하 | 0 |
| 복잡도 | 405 |
| Collision Cross Section | 168.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 113-118 °C(lit.) |
| 끓는 점 | 410.75°C (rough estimate) |
| 밀도 | 1.4662 (rough estimate) |
| 굴절률 | 26 ° (C=8.8, H2O) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 10g/100mL |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 3.28±0.35(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| 생물학적 소스 | synthetic |
| 용해도 | 10g/100mL |
| Merck | 5342 |
| BRN | 95054 |
| 화장품 원료 기능 | 버퍼링 |
| InChI | 1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1 |
| InChIKey | JYTUSYBCFIZPBE-AMTLMPIISA-N |
| SMILES | OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O |
| LogP(분배 계수) | -3.848 (est) |
화학적 성질
White to off-white crystalline powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 92.3% (24 of 26) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 24 of 26 companies (only 7.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 26 reports by companies from 4 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 24 of 26 reports by companies.There are 2 notifications provided by 2 of 26 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | D-Gluconic acid, 4-O-.beta.-D-galactopyranosyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 1 |
| 관세 코드 | 29400000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-36-26 |
| 기존화학 물질 | KE-17413 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Lactobionic acid is mainly used in preservation solutions for organ transplantation. It is used to produce erythromycine lactobionate.