CAS号:15176-29-1-5-ETHYL-2'-DEOXYURIDINE

1. 主信息

英文名:	Edoxudine
中文名:	5-ETHYL-2'-DEOXYURIDINE
CAS编号:	15176-29-1
化学分子式：	C₁₁H₁₆N₂O₅
化学分子量：	256.25 g/mol
SMILES：	CCC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	1-(2'-deoxy-beta-D-ribofuranosyl)-5-ethyluracil 2'-deoxy-5-ethyluridine 5-ethyl-2'-deoxyuridine 5-ethyl-3-(2'-deoxyribofuranosyl)uracil 5-ethyldeoxyuridine

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	50mg	99%	960	2-8℃	现货	-
科华智慧	100mg	99%	1600	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 34 35 0 1 0 0 0 0 0999 V2000 1.7099 0.2976 0.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1794 -1.2388 0.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0643 3.0208 0.4129 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -3.0846 0.5032 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1895 -0.3439 -0.3812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 -0.8102 0.1762 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -1.7064 0.0607 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 -0.9083 0.3631 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2827 -0.3697 -0.6719 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9824 -1.0906 -0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 0.7701 0.2445 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4497 2.0229 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7385 0.4369 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0203 -1.9489 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 0.6655 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 -0.4857 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6116 2.0169 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9924 2.7564 0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4548 -1.7329 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 -0.0281 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 -0.6043 -1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -2.1494 -1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 1.0147 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 1.8506 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3013 2.4068 -1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0685 1.2798 -0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 -1.9817 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -2.5120 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8762 2.6181 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4813 1.9391 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 3.8109 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3965 3.7439 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 2.9016 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7564 2.2114 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 31 1 0 0 0 0 4 14 2 0 0 0 0 5 16 2 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

4.2 InChl

InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1

4.3 InChlKey

XACKNLSZYYIACO-DJLDLDEBSA-N

4.4 Canonical SMILES

CCC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O

4.5 lsomeric SMILES

CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O

4.6 SDF文件

补充中

回顶

5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

回顶

6. 相关药材

中文名称

英文名称

拉丁文名称

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型