Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
NADPH
reduced · NADPN · NADPH · NADPH2 · Na4 salt · ent-NADPH · β-NADPH-d4 · NADPH ≥98%
식별자 및 물리적 특성
| CAS No. | 53-57-6 |
|---|---|
| 분자식 | C21H30N7O17P3 |
| 평균 분자량 | 745.4 g/mol |
| SMILES | NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1 |
| InChIKey | ACFIXJIJDZMPPO-NNYOXOHSSA-N |
| PubChem CID | 5884 |
| ChEMBL | CHEMBL407009 |
| ChEBI | CHEBI:16474 |
| EC No. | 200-177-6 |
| DTXSID | DTXSID001018921 |
화학 및 물리적 성질
| XLogP | -6.8 |
|---|---|
| 극성 표면적 | 364 |
| 수소 결합 공여자 수 | 9 |
| 수소 결합 수용자 수 | 22 |
| 회전 가능 결합 수 | 13 |
| 무거운 원자 수 | 48 |
| 형식 전하 | 0 |
| 복잡도 | 1,410 |
| 물질 분류 | Biological Agents -> Other Biomolecules |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Solid |
| Collision Cross Section | 240.5 Ų [M+Na-H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]246.7 Ų [M-H]- |
| 끓는 점 | 1175.1±75.0 °C(Predicted) |
| 밀도 | 2.28±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 1.13±0.50(Predicted) |
| 물리적 상태 | Solid |
| 색상 | White to light yellow |
| EPA | Nicotinamide adenine dinucleotide phosphate (53-57-6) |
안전 및 규제
| 규제 정보 | Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'â5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| 유해성 요약 | See NADP. |
| TSCA 등재 상태 | TSCA listed |
용도
용도
One of the biologically active forms of nicotinic acid. Differs from NAD by an additional phosphate group at the 2position of the adenosine moiety. Serves as a coenzyme of hydrogenases and dehydrogenases. Present in living cells primarily in the r