化工社化工社 化学情報印刷レポート · 研究参考用
1,5,2,4-ジオキサジチエパン2,2,4,4-テトラオキシド
1,5,2,4-ジオキサジチエパン2,2,4,4-テトラオキシド · シクロジソン · 1,5,2,4-ジオキサジチエパン-2,2,4,4-テトライウム-2,2,4,4-テトラキス(オラート) · NSC-348949 · NSC-348948 · cyclodisone · Cyclic-SoSo · 1,5,2,4-Dioxadithiepane 2,2,4,4-tetraoxide
識別子と物理属性
| CAS No. | 99591-73-8 |
|---|---|
| 分子式 | C3H6O6S2 |
| 平均分子量 | 202.2 g/mol |
| 単同位体質量 | 201.96058025 g/mol |
| SMILES | O=S1(=O)CS(=O)(=O)OCCO1 |
| InChIKey | RYIRMSRYCSMGJA-UHFFFAOYSA-N |
| PubChem CID | 57513 |
| ChEMBL | CHEMBL1994476 |
| DTXSID | DTXSID80244147 |
| 現地名 | 1,5,2,4-ジオキサジチエパン2,2,4,4-テトラオキシド |
化学・物理的性質
| XLogP | -1.1 |
|---|---|
| 極性表面積 | 104 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 0 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 278 |
| 溶解度 | Water < 1 (mg/mL)Acetate buffer, pH 4 < 1 (mg/mL)Carbonate buffer, pH 9 < 1 (mg/mL)0.1 N HCl < 1 (mg/mL)0.1 N NaOH 10-13 (mg/mL)Ethanol (95%) < 1 (mg/mL) |
| Stability/Shelf Life | Bulk: Cyclodisone stored for 90 days at room temperature and at 50 °C under both dark and light conditions was stable (HPLC). Samples stored at 50 °C turned a light tan color. Solution: 180 mg of Cyclodisone was dissolved in 60 mL of DMSO/water (50/50, v/v). Aliquots of this solution (5 mL) were diluted to 10 mL with internal standard solution (5 mL, phenol 1.8 mg/mL in CH3CN/water, 20/80, v /v) and the concentration was determined over a 4 hour period using the HPLC system described below. The t90 was 320 min. |
| 密度 | 1.693 |