식별자 및 물리적 특성
| CAS No. | 146183-25-7 |
|---|
| 분자식 | C10H14N2O5 |
|---|
| 평균 분자량 | 242.23 g/mol |
|---|
| 단동위원소 질량 | 242.09027155 g/mol |
|---|
| SMILES | Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O |
|---|
| InChIKey | IQFYYKKMVGJFEH-XLPZGREQSA-N |
|---|
| PubChem CID | 5789 |
|---|
| ChEMBL | CHEMBL52609 |
|---|
| ChEBI | CHEBI:17748 |
|---|
| EC No. | 200-070-4 |
|---|
| DTXSID | DTXSID5023661 |
|---|
화학 및 물리적 성질
| XLogP | -1.2 |
|---|
| 극성 표면적 | 99.1 |
|---|
| 수소 결합 공여자 수 | 3 |
|---|
| 수소 결합 수용자 수 | 5 |
|---|
| 회전 가능 결합 수 | 2 |
|---|
| 무거운 원자 수 | 17 |
|---|
| 형식 전하 | 0 |
|---|
| 복잡도 | 381 |
|---|
| LogP(분배 계수) | -0.93 |
|---|
| 용해도 | 73.5 mg/mLWater 50 (mg/mL) |
|---|
| 녹는점 | 187-189 |
|---|
| Optical Rotation | (c = 1, H2O) [a]25 D = +18 ± 0.5° |
|---|
| Physical Description | Solid[Merck Index] White odorless powder[Alfa Aesar MSDS] |
|---|
| Stability/Shelf Life | Solution: A 1% solution of thymidine in water, kept at room temperature, is stable for at least 24 hours (HPLC). |
|---|
| Collision Cross Section | 161 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]151.22 Ų [M-H]- [CCS Type: DT164.51 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]157.04 Ų [M-H]- [CCS Type: DT161.6 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]154.1 Ų [M-H]- [CCS Type: DT154.2 Ų [M-H]-161.2 Ų [M+Na]+ |
|---|
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 97.6% (121 of 124) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 121 of 124 companies (only 2.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 124 reports by companies from 4 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 121 of 124 reports by companies.There are 3 notifications provided by 3 of 124 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 | Chemical: ThymidineStatus: Active Update: 02-09-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/15994Thymidine: 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 | Causes somnolence and changes in motor activity in intraperitoneal lethal-dose studies of mice (LD50 = 2,512 mg/kg)[RTECS] May cause irritation[Alfa Aesar MSDS] |
|---|
| Hazard Classes and Categories | Not Classified |
|---|
| Toxicity Data | Mouse(ip): LD50 2512 mg/kg |
|---|
