2'-脱氧-3',5'-二-O-乙酰基尿苷 | 13030-62-1
2'-脱氧-3',5'-二-O-乙酰基尿苷
3',5'-Di-O-acetyl-2'-deoxyuridine
13030-62-1
C13H16N2O7
312.27534
名称和标识符
MDL |
MFCD12031603 |
InChIKey |
XCLQOCSQUSRPDH-HOSYDEDBSA-N |
Inchi |
InChI=1S/C13H16N2O7/c1-7(16)20-6-10-9(21-8(2)17)5-12(22-10)15-4-3-11(18)14-13(15)19/h3-4,9-10,12H,5-6H2,1-2H3,(H,14,18,19)/t9-,10+,12+/m0/s1 |
SMILES |
CC(OC[C@H]1O[C@@H](N(C(N2)=O)C=CC2=O)C[C@@H]1OC(C)=O)=O |
别名信息
- 中文别名 -
- 3,5-二-o-乙酰基-2-脱氧尿苷
- 二乙酰基-2'脱氧尿苷
- 2'-脱氧-3',5'-二-O-乙酰基尿苷
- 英文别名 -
- 3',5'-Di-O-acetyl-2'-deoxyuridine
- 3´,5´-Di-O-acetyl-2´-deoxyuridine
- ((2R,3S,5R)-3-Acetoxy-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl acetate
- 3?,5?-Di-O-acetyl-2?-deoxyuridine
- Uridine, 2'-deoxy-,3',5'-diacetate
- [(2R,3S,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
- 3',5'-Diacetyl-2'-deoxyuridine
- 3,5'-Di-O-acetyl-2'-deoxyuridine
- 2'-Deoxy-3',5'-di-O-acetyluridine
- 3'-O,5'-O-Diacetyl-2'-deoxyuridine
- 1-(3',5'-Di-O-acetyl-2'-deoxy--D-ribofuranosyl)uracil
- 1-(3',5'-Di-O-acetyl-2'-deoxy-b-D-ribofuranosyl)uraci
- 1-(3-O,5-O-Diacetyl-2-deoxy-β-D-erythro-pentofuranosyl)-4-hydroxypyrimidine-2(1H)-one
- ((2R,3S,5R)-3-Acetoxy-5-(2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)tetrahydrofuran-2-yl)Methyl acetate
- ((2R,3S,5R)-3-Acetoxy-5-(2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)tetrahydrofuran-2-yl)Methyl acetate
物化性质
实验特性
LogP |
-0.41810 |
PSA |
157.15000 |
熔点 |
106-108 ºC |
溶解度 |
Very 微溶 (0.69 g/L) (25 ºC), |
密度 |
1.40±0.1 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
316.05400 |
氢键供体数量 |
1 |
氢键受体数量 |
9 |
可旋转化学键数量 |
6 |
重原子数量 |
22 |