5-ethynyl-2'-deoxyuridine | 100021-00-9

分子结构分类

有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷

中文名称

——

中文别名

——

英文名称

5-ethynyl-2'-deoxyuridine

英文别名

3',5'-di-O-Acetyl-2'-deoxy-5-ethynyluridine；[(2R,3S,5R)-3-acetyloxy-5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate

CAS

100021-00-9

化学式

C₁₅H₁₆N₂O₇

mdl

——

分子量

336.301

InChiKey

IUUWFEJKFNPIRI-YNEHKIRRSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

183 °C
密度：

1.40±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

-0.3
重原子数：

24
可旋转键数：

7
环数：

2.0
sp3杂化的碳原子比例：

0.47
拓扑面积：

111
氢给体数：

1
氢受体数：

7

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	1-(3,5-di-O-acetyl-2-deoxy-β-D-erythro-pentofuranosyl)-5-(trimethylsilylethynyl)uracil	85267-60-3	C₁₈H₂₄N₂O₇Si	408.483
5-乙炔-2-脱氧尿苷	2'-deoxy-5-ethynyluridine	61135-33-9	C₁₁H₁₂N₂O₅	252.227
二乙酰基-2'脱氧尿苷	3',5'-di-O-acetyl-2'-deoxyuridine	13030-62-1	C₁₃H₁₆N₂O₇	312.279
——	5-(trimethylsilyl)ethynyl-2'-deoxyuridine	151362-01-5	C₁₄H₂₀N₂O₅Si	324.409
3',5'-双乙酰基-5-碘-脱氧尿苷	3',5'-O-diacetyl-5-iodo-2'-deoxyuridine	1956-30-5	C₁₃H₁₅IN₂O₇	438.176
2-脱氧尿苷	2'-Deoxyuridine	951-78-0	C₉H₁₂N₂O₅	228.205
碘苷	5-Iodo-2'-deoxyuridine	54-42-2	C₉H₁₁IN₂O₅	354.101

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3',5'-di-O-acetyl-5-(2-bromoethynyl)-2'-deoxyuridine	866836-96-6	C₁₅H₁₅BrN₂O₇	415.197
——	3',5'-di-O-acetyl-5-(2-iodoethynyl)-2'-deoxyuridine	866836-93-3	C₁₅H₁₅IN₂O₇	462.198
——	5,5'-ethyne-1,2-diylbis(3',5'-di-O-acetyl-2'-deoxyuridine)	1187880-20-1	C₂₈H₃₀N₄O₁₄	646.565
——	3',5'-di-O-acetyl-5-[5-hydroxypenta-1,3-diynyl]-2'-deoxyuridine	1378943-40-8	C₁₈H₁₈N₂O₈	390.35
——	3',5'-di-O-acetyl-5-(6-hydroxyhepta-1,3-diynyl)-2'-deoxyuridine	1378943-39-5	C₂₀H₂₂N₂O₈	418.403
——	3',5'-di-O-acetyl-5-[4-(cyclopropyl)buta-1,3-diynyl]-2'-deoxyuridine	1378943-42-0	C₂₀H₂₀N₂O₇	400.388
——	3',5'-di-O-acetyl-5-(4-phenylbuta-1,3-diynyl)-2'-deoxyuridine	1378943-29-3	C₂₃H₂₀N₂O₇	436.421
——	3',5'-di-O-acetyl-5-[5-cyclopentylpenta-1,3-diynyl]-2'-deoxyuridine	1378943-41-9	C₂₃H₂₆N₂O₇	442.469
——	3',5'-di-O-acetyl-5-[4-(4-aminophenyl)buta-1,3-diynyl]-2'-deoxyuridine	1378943-35-1	C₂₃H₂₁N₃O₇	451.436
——	3',5'-di-O-acetyl-5-[4-(3-amino-phenyl)buta-1,3-diynyl]-2'-deoxyuridine	1378943-34-0	C₂₃H₂₁N₃O₇	451.436
——	3',5'-di-O-acetyl-5-[4-(4-propylphenyl)buta-1,3-diynyl]-2'-deoxyuridine	1378943-30-6	C₂₆H₂₆N₂O₇	478.502
——	3',5'-di-O-acetyl-5-[4-(pyridin-2-yl)buta-1,3-diynyl]-2'-deoxyuridine	1378943-33-9	C₂₂H₁₉N₃O₇	437.409
——	3',5'-di-O-acetyl-5-[4-(4-hexylphenyl)buta-1,3-diynyl]-2'-deoxyuridine	1378943-31-7	C₂₉H₃₂N₂O₇	520.582
——	3',5'-di-O-acetyl-5-[4-(4-trifluoromethoxyphenyl)buta-1,3-diynyl]-2'-deoxyuridine	1378943-37-3	C₂₄H₁₉F₃N₂O₈	520.419
——	3',5'-di-O-acetyl-5-[4-(4-fluoro-3-methylphenyl)buta-1,3-diynyl]-2'-deoxyuridine	1378943-38-4	C₂₄H₂₁FN₂O₇	468.438
——	3',5'-di-O-acetyl-5-[4-(4-nitrophenyl)buta-1,3-diynyl]-2'-deoxyuridine	1378943-36-2	C₂₃H₁₉N₃O₉	481.419
——	3',5'-di-O-acetyl-5-[4-(3,5-dimethoxyphenyl)buta-1,3-diynyl]-2'-deoxyuridine	1378943-32-8	C₂₅H₂₄N₂O₉	496.474
5-乙炔-2-脱氧尿苷	2'-deoxy-5-ethynyluridine	61135-33-9	C₁₁H₁₂N₂O₅	252.227
5-溴乙炔基-2'-脱氧尿苷	5-(bromoethynyl)-β-2'-deoxyuridine	80384-36-7	C₁₁H₁₁BrN₂O₅	331.123
——	1-(2-deoxy-β-D-ribofuranosyl)-5-(2-iodoethynyl)uracil	——	C₁₁H₁₁IN₂O₅	378.123
——	(E)-3',5'-di-O-acetyl-5-(1-chloro-2-iodovinyl)-2'-deoxyuridine	866837-05-0	C₁₅H₁₆ClIN₂O₇	498.659
——	5-[5-hydroxypenta-1,3-diynyl]-2'-deoxyuridine	1378943-54-4	C₁₄H₁₄N₂O₆	306.275
——	5-(6-hydroxyhepta-1,3-diynyl)-2'-deoxyuridine	1378943-53-3	C₁₆H₁₈N₂O₆	334.329
——	(E)-3',5'-di-O-acetyl-5-(1,2-dibromovinyl)-2'-deoxyuridine	866837-08-3	C₁₅H₁₆Br₂N₂O₇	496.109
——	(E)-3',5'-di-O-acetyl-5-(1,2-diiodovinyl)-2'-deoxyuridine	866836-99-9	C₁₅H₁₆I₂N₂O₇	590.11
——	(E)-3',5'-di-O-ace