| 融点 |
196-198°C |
| 比旋光度 |
[α]D20 +144～+158° (c=0.5, H2O) (Calculated on dehydrous basis) |
| 沸点 |
727.4±60.0 °C(Predicted) |
| 比重(密度) |
1.3040 (rough estimate) |
| 屈折率 |
1.6320 (estimate) |
| 貯蔵温度 |
Keep in dark place,Inert atmosphere,2-8°C |
| 溶解性 |
NH4OH 1 M: 50 mg/mL, clear, yellow |
| 外見 |
Solid |
| 酸解離定数(Pka) |
5.2, 7.3(at 25℃) |
| 色 |
White to light yellow |
| PH |
pH (5g/l, 25℃) 3.5～5.5 |
| 水溶解度 |
12.5g/L(25 ºC) |
| Merck |
13,1986 |
| BCS Class |
4 |
| 主な用途 |
forensics and toxicology
pharmaceutical (small molecule) |
| InChI |
1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1 |
| InChIKey |
AVGYWQBCYZHHPN-CYJZLJNKSA-N |
| SMILES |
N[C@@H](C(N[C@@H]1C(N2[C@]1([H])SCC(C)=C2C(O)=O)=O)=O)C3=CC=CC=C3 |
| CAS データベース |
15686-71-2(CAS DataBase Reference) |
| EPAの化学物質情報 |
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-, (6R,7R)- (15686-71-2) |
