요산
우르산 · 요산 · 우릭애씨드 · 7,9-Dihydro-1H-purine-2,6,8(3H)-trione · TRIKETOPURINE · 2,6,8-TRIHYDROXYPURINE · Uric aci · NSC 3975
식별자 및 물리적 특성
| CAS No. | 69-93-2 |
|---|---|
| 분자식 | C5H4N4O3 |
| 평균 분자량 | 168.11 g/mol |
| 단동위원소 질량 | 168.02833999 g/mol |
| SMILES | O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1 |
| InChIKey | LEHOTFFKMJEONL-UHFFFAOYSA-N |
| PubChem CID | 1175 |
| ChEMBL | CHEMBL792 |
| ChEBI | CHEBI:17775 |
| EC No. | 200-720-7 |
| DTXSID | DTXSID3042508 |
| 현지명 | 요산 |
화학 및 물리적 성질
| XLogP | -1.9 |
|---|---|
| 극성 표면적 | 99.3 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 332 |
| 물질 분류 | Nitrogen Compounds -> Purines |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 화장품 | Skin conditioningBuffering |
| SpringerMaterials Properties | Crystal structure |
| LogP(분배 계수) | -2.17 |
| 용해도 | 0.06 mg/mL수성 베이스(약간 용해됨, 가열됨) |
| 녹는점 | Greater than 300 °C> 300 °C>300 °C (lit.) |
| Physical Description | White odorless solid[Merck Index] Beige powder[Sigma-Aldrich MSDS] |
| Dissociation Constants | 5.4 |
| Collision Cross Section | 126.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID3042508]126.93 Ų [M-H]- [CCS Type: DTMethod: stepped-field]127.08 Ų [M-H]- [CCS Type: DT125.5 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]142.6 Ų [M+Na]+ |
| 끓는 점 | 297.02°C (rough estimate) |
| 밀도 | 1,9 g/cm3 |
| 굴절률 | 1.9900 (estimate) |
| 저장 조건 | Sealed in dry,2-8°C |
| pKa(산도 계수) | 3.89(at 12℃) |
| 물리적 상태 | 수정 같은 |
| 색상 | 흰색에서 황백색까지 |
| 냄새 | 냄새 없는 |
| 생물학적 소스 | animal (seabird feces (guano)) |
| 용해도 | 1M 수산화나트륨 용액에 용해됩니다. 물에 약간 용해됩니다. 에테르와 알코올에 불용성. |
| 비열 | Cp(crystal): 0.99 J/(g·K), at 25℃ |
| Merck | 14,9875 |
| BRN | 156158 |
| 안정성 | 안정적인. 산, 염기, 산화제와 호환되지 않습니다. |
| 화장품 원료 기능 | 피부 컨디셔닝버퍼링 |
| InChI | 1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) |
| InChIKey | LEHOTFFKMJEONL-UHFFFAOYSA-N |
| SMILES | O=C1NC(=O)C2=C(N1)NC(=O)N2 |
| LogP(분배 계수) | -1.730 (est) |
| EPA | Uric acid (69-93-2) |
화학적 성질
Uric acid (C5H4O3N4) is a white solid that is insoluble in cold water, alcohol, or ether and sparingly soluble in hot water. It acts as a weak dibasic acid, creating two series of salts, with most being very slightly soluble in water (except for lithium urate, which is soluble).
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 96.8% (30 of 31) of all reports.Not ClassifiedAggregated GHS information provided per 31 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-Status: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/234781H-Purine-2,6,8(3H)-trione, 7,9-dihydro-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 유해성 요약 | May cause irritationReproductive effects observed in rats[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | YU7050080 |
| 독성 | A nitrogenous end product and the principal excretory product of purine metabolism in mammals. In birds and reptiles, it is the principal end product of nitrogen metabolism in general. Defects in uric acid metabolism and excretion appear to be associated with a number of disease states, and it frequently occurs as a component of renal calculi. It has not been associated closely with toxic insults except in the case of lead poisoning. Lead causes an elevation in blood uric acid concentration (uric acidemia) and a decrease in uric acid excretion. |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 33-36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-36-26 |
| 기존화학 물질 | KE-10742 |
| 저장 분류 | 11 - Combustible Solids |
용도
출처
Uric acid is found in the urine, blood, and muscle juices of carnivorous animals (herbivorous animals secrete hippuric acid), in the excrement of birds, serpents and insects, and is an oxidation product of the complex nitrogenous compounds of the animal organism.
용도
Uric Acid is a heterocyclcic compound that is created when purine nucleotides are broken down of by the human body. High blood concetration of Uric Acid is known as hyperuricemia and is often associated with a wide range of disorders and medical conditions such as gout, diabetes and metabolic syndrome. Uric acid may be a marker of oxidative stress and may have a potential therapeutic role as an antioxidant.