Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
우리딘5'-(이인산삼수소),모노-알파-d-글루코피라노실에스테르
우리딘5'-(이인산삼수소),모노-알파-d-글루코피라노실에스테르 · Udp-glucose · Uridine diphosphate glucose · UDP-D-glucose · UDP-a-D-Glucose · Uridine diphosphoglucose · Uridine-5''-diphospho-D-glucose · Uridine 5'-pyrophosphate, D-glucosyl ester
식별자 및 물리적 특성
| CAS No. | 133-89-1 |
|---|---|
| 분자식 | C15H24N2O17P2 |
| 평균 분자량 | 566.3 g/mol |
| 단동위원소 질량 | 566.05502057 g/mol |
| SMILES | O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1 |
| InChIKey | HSCJRCZFDFQWRP-JZMIEXBBSA-N |
| PubChem CID | 8629 |
| ChEMBL | CHEMBL375951 |
| ChEBI | CHEBI:46229 |
| EC No. | 205-121-4 |
| DTXSID | DTXSID00157902 |
| 현지명 | 우리딘5'-(이인산삼수소),모노-알파-d-글루코피라노실에스테르 |
화학 및 물리적 성질
| XLogP | -6.3 |
|---|---|
| 극성 표면적 | 292 |
| 수소 결합 공여자 수 | 9 |
| 수소 결합 수용자 수 | 17 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 36 |
| 형식 전하 | 0 |
| 복잡도 | 964 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Solid |
| Collision Cross Section | 209.2 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]210.5 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]207.3 Ų [M-H]- |
| 저장 조건 | Store at -20°C, protect from light, stored under nitrogen |
| 용해도 | Easily soluble (water), soluble (methanol), insoluble ((CH3)2CO, (C2H5)2O) |
| 물리적 상태 | Solid |
| 밀도 | 1.97±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 1.10±0.50(Predicted) |
| 색상 | White to off-white |
| 용해도 | Water : ≥ 50 mg/mL |
| InChIKey | HSCJRCZFDFQWRP-JZMIEXBBSA-N |
| SMILES | O[C@@H]1[C@@H]([C@H](O[C@H]1N1C=CC(NC1=O)=O)COP(O)(=O)OP(O)(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
안전 및 규제
| 기존화학 물질 | KE-35247 |
|---|
용도
개요
An intermediate in the phase II reaction that results in the formation of glucose conjugates of xenobiotics which contain substituents such as hydroxyl, amino or sulfhydryl groups, the O-, N-, and S-glucosides, respectively. UDPG is formed from uridine triphosphate and glucose-1- phosphate in a reaction catalyzed by the enzyme UDPG pyro_x0002_phosphorylase. Glucoside formation is common in insects and plants, whereas animals other than insects utilize uridine diphosphate glucuronic acid to form glucuronides.