1-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide;1-[(6R,8R)-8-(hydroxymethyl)-3-methyl-2,4-dioxo-5a,6,8,8a-tetrahydrofuro[3,4-b][1,4]dioxepin-6-yl]-1,2,4-triazole-3-carboxamide

分子结构分类

有机化合物 - 核苷、核苷酸和类似物 - 三唑核糖核苷和核糖核苷酸

中文名称

——

中文别名

——

英文名称

1-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide;1-[(6R,8R)-8-(hydroxymethyl)-3-methyl-2,4-dioxo-5a,6,8,8a-tetrahydrofuro[3,4-b][1,4]dioxepin-6-yl]-1,2,4-triazole-3-carboxamide

英文别名

——

1-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide;1-[(6R,8R)-8-(hydroxymethyl)-3-methyl-2,4-dioxo-5a,6,8,8a-tetrahydrofuro[3,4-b][1,4]dioxepin-6-yl]-1,2,4-triazole-3-carboxamide化学式

CAS

——

化学式

C23H30N8O12

mdl

——

分子量

610.5

InChiKey

DPIOLGSQDRMZFR-DVOGUEKBSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-3.47
重原子数：

43
可旋转键数：

6
环数：

6.0
sp3杂化的碳原子比例：

0.65
拓扑面积：

278
氢给体数：

4
氢受体数：

16

同类化合物

利巴韦林杂质G 利巴韦林杂质E 利巴韦林杂质B 利巴韦林杂质7 利巴韦林EP杂质F 利巴韦林利巴韦林三氮唑核苷脒盐酸盐三氮唑核苷羧酸三氮唑核苷5'-氨基磺酸三氮唑核苷-5'-磷酸酯三氮唑核苷 5'-二磷酸酯三氮唑核苷 5'-三磷酸酯三氮唑核苷 2',3',5'-三乙酸酯三乙酰利巴韦林甲酯 [5-(3-氨基-1,2,4-三唑-1-基)-3,4-二苯甲酰氧基-四氢呋喃-2-基]甲基苯甲酸酯 [(2R,3S,4R,5R)-5-(3-硫代氨基甲酰-1,2,4-三唑-1-基)-3,4-二羟基四氢呋喃-2-基]甲基氨基磺酸 [(2R,3S,4R,5R)-5-(3-氰基-1,2,4-三唑-1-基)-3,4-二羟基四氢呋喃-2-基]甲基氨基磺酸 [(2R,3S,4R,5R)-5-(3-氨基羰基-1,2,4-三唑-1-基)-3,4-二羟基-四氢呋喃-2-基]甲基二氢磷酸酯与N,N-二乙基乙胺的化合物 5-氨基-1-[(2R,3R,4S,5R)-3,4-二羟基-5-(羟基甲基)四氢呋喃-2-基]-1,2,4-三唑-3-甲脒盐酸盐 5'-O-吡喃葡萄糖基三氮唑核苷 5'-O-吡喃半乳糖基三氮唑核苷 3-氰基-1-(2,3,5-三-O-乙酰基-beta-D-呋喃核糖基)-1,2,4-三唑 2’,3’-异亚丙基三氮唑核苷 2'，3'-异亚丙基α-利巴韦林 2'-脱氧三氮唑核苷 1-Β-D-呋喃核糖基-1H-1,2,4-三氮唑-3-羧酸甲酯 1-[2,3-O-异亚丙基-beta-D-呋喃核糖基]-1,2,4-三唑-3-羧酸甲酯 1-[(2S,3S,4S,5S)-3,4-二羟基-5-(羟基甲基)四氢呋喃-2-基]-1,2,4-三唑-3-甲酰胺 1-[(2R,3R,4R,5R)-3,4-二丁氧基-5-(丁氧基甲基)四氢呋喃-2-基]-1,2,4-三唑-3-甲酰胺 1-(2-C-甲基-BETA-D-呋喃核糖基)-1H-1,2,4-三唑-3-甲酰胺 (2R,3S,4R,5R)-2-(羟基甲基)-5-[3-(甲氧基亚胺甲酰基)-1,2,4-三唑-1-基]四氢呋喃-3,4-二醇 (2R,3R,4S,5R)-2-[3-(乙氧基亚胺甲酰基)-1,2,4-三唑-1-基]-5-(羟基甲基)四氢呋喃-3,4-二醇 1-(β-D-glucopyranosyl)-4-(4-nitrophenyl)-1,2,3-triazole O³,O⁵-dibenzoyl-1-(5,6-dichloro-benzotriazol-1-yl)-β-D-1-deoxy-ribofuranose O³,O⁵-dibenzoyl-1-(5,6-dichloro-benzotriazol-1-yl)-α-D-1-deoxy-ribofuranose 1-(5-benzyloxy-3-nitro-[1,2,4]triazol-1-yl)-β-D-1-deoxy-ribofuranose 2-β-D-ribofuranosyl-2H-[1,2,4]triazole-3-carboxylic acid hydrazide 5-acetylamino-3-(tri-O-benzoyl-β-D-ribofuranosyl)-3H-[1,2,3]triazole-4-carboxylic acid amide methyl 1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-[2-(4-methylphenyl)ethynyl]-1,2,4-triazole-3-carboxylate Methyl-1-β-D-Ribofuranosyl-1.2.4-triazol-5-carboxylat methyl 5-(4-methoxyphenylethynyl)-1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-1H-[1,2,4]triazole-3-carboxylate methyl 5-(cyclohexenylethynyl)-1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-1H-[1,2,4]triazole-3-carboxylate tri-O-benzoyl-1-(3,5-dimethoxy-[1,2,4]triazol-1-yl)-β-D-1-deoxy-ribofuranose methyl 1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-(2-phenylethynyl)-1,2,4-triazole-3-carboxylate 1-β-D-ribofuranosyl-1H-[1,2,4]triazole-3-carboxylic acid hydroxyamide methyl 5-[2-(4-chlorophenyl)ethynyl]-1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxylate methyl 1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-(4-methylanilino)-1,2,4-triazole-3-carboxylate methyl 5-(5-chloropent-1-ynyl)-1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxylate methyl 1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-[2-(1-methylimidazol-4-yl)ethynyl]-1,2,4-triazole-3-carboxylate

1-[(4R,6R)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide;1-[(6R,8R)-8-(hydroxymethyl)-3-methyl-2,4-dioxo-5a,6,8,8a-tetrahydrofuro[3,4-b][1,4]dioxepin-6-yl]-1,2,4-triazole-3-carboxamide

分子结构分类

计算性质

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