3'-O-Acetyl-2'-deoxyadenosine (2R,3S,5R)-5-(6-氨基-9H-嘌呤-9-基)-2-(羟甲基)四氢呋喃-3-基乙酸酯
CAS 6612-73-3 MFCD00057022
化学结构图
SMILES: CC(=O)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO
化学属性
| Mol. Formula | C12H15N5O4 |
|---|---|
| Mol. Weight | 293.28 |
| Density | 1.422 |
别名和识别编码
| Chemical Name | 3'-O-Acetyl-2'-deoxyadenosine |
|---|---|
| CAS Number | 6612-73-3 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 2384789 |
| MDL Number | MFCD00057022 |
| PubChem Substance ID | 14188779 |
| Chemical Name Translation | (2R,3S,5R)-5-(6-氨基-9H-嘌呤-9-基)-2-(羟甲基)四氢呋喃-3-基乙酸酯 |
| InChI | InChI=1S/C12H15N5O4/c1-6(19)20-7-2-9(21-8(7)3-18)17-5-16-10-11(13)14-4-15-12(10)17/h4-5,7-9,18H,2-3H2,1H3,(H2,13,14,15)/t7-,8+,9+/m0/s1 |
| Synonym | (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate {LY} (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate {} {LY} (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate {} {} {LY} (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate {} {} {} {LY} (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate {} {} {} {} {LY} (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate {} {} {} {} {} {LY} (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate {} {} {} {} {} {} {LY} (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate {} {} {} {} {} {} {} {LY} (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate {} {} {} {} {} {} {} {} {LY} (2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl acetate |
| Canonical SMILES | NC1=C2C(N(C=N2)[C@H]3C[C@H](OC(C)=O)[C@@H](CO)O3)=NC=N1 |
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安全信息
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
