識別子と物理属性
| CAS No. | 103090-47-7 |
|---|
| 分子式 | C10H12ClN5O4 |
|---|
| 平均分子量 | 301.69 g/mol |
|---|
| 単同位体質量 | 301.05778154 g/mol |
|---|
| SMILES | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
|---|
| InChIKey | BIXYYZIIJIXVFW-UUOKFMHZSA-N |
|---|
| PubChem CID | 8974 |
|---|
| ChEMBL | CHEMBL285819 |
|---|
| ChEBI | CHEBI:125640 |
|---|
| EC No. | 205-678-3 |
|---|
| DTXSID | DTXSID301017134 |
|---|
化学・物理的性質
| XLogP | -0.1 |
|---|
| 極性表面積 | 140 |
|---|
| 水素結合供与体数 | 4 |
|---|
| 水素結合受容体数 | 8 |
|---|
| 回転可能結合数 | 2 |
|---|
| 重原子数 | 20 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 367 |
|---|
| 溶解度 | >45.3 [ug/mL] (The mean of the results at pH 7.4) |
|---|
安全性と法規制
| GHS 分類 | DangerH302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (40%) |
|---|
