491611-55-3
中文名稱(chēng)
2,2-DIMETHYL-PROPIONIC ACID 3-(2-CHLORO-6-METHYLAMINOPURIN-9-YL)-2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-PROPYL ESTER
英文名稱(chēng)
2,2-DIMETHYL-PROPIONIC ACID 3-(2-CHLORO-6-METHYLAMINOPURIN-9-YL)-2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-PROPYL ESTER
CAS
491611-55-3
分子式
C20H30ClN5O4
分子量
439.94
MOL 文件
491611-55-3.mol
491611-55-3 結(jié)構(gòu)式
基本信息
中文別名
化合物 MRS2395 英文別名
MRS 2395NASABYJQIYJDID-UHFFFAOYSA-N
MRS 2395 >=98% (HPLC), solid
[2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate
Propanoic acid, 2,2-dimethyl-, 1,1'-[2-[[2-chloro-6-(methylamino)-9H-purin-9-yl]methyl]-1,3-propanediyl] ester
2,2-DIMETHYL-PROPIONIC ACID 3-(2-CHLORO-6-METHYLAMINOPURIN-9-YL)-2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-PROPYL ESTER
2,2-Dimethyl-propionic acid 3-(2-chloro-6-methylaminopurin-9-yl)-2-(2,2-dimethyl-propionyloxymethyl)-propyl ester
物理化學(xué)性質(zhì)
沸點(diǎn)532.5±60.0 °C(Predicted)
密度1.26±0.1 g/cm3(Predicted)
溶解度二甲基亞砜：>10 mg/mL
酸度系數(shù)(pKa)1.53±0.10(Predicted)
形態(tài)固體
顏色白色
InChI1S/C20H30ClN5O4/c1-19(2,3)16(27)29-9-12(10-30-17(28)20(4,5)6)8-26-11-23-13-14(22-7)24-18(21)25-15(13)26/h11-12H,8-10H2,1-7H3,(H,22,24,25)
InChIKeyNASABYJQIYJDID-UHFFFAOYSA-N
SMILESCNc1nc(Cl)nc2n(CC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C)cnc12