(2S,3R,4S,6R)-2-(((3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-10-(acetoxyimino)-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxooxacyclotetradecan-6-yl)oxy)-4-(dimethylamino)-6-methyltetrahydro-2H-pyran-3-yl acetate | 561327-05-7
中文名称
——
中文别名
——
英文名称
(2S,3R,4S,6R)-2-(((3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-10-(acetoxyimino)-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxooxacyclotetradecan-6-yl)oxy)-4-(dimethylamino)-6-methyltetrahydro-2H-pyran-3-yl acetate
英文别名
——
CAS
561327-05-7
化学式
C34H60N2O12
mdl
——
分子量
688.857
InChiKey
WYSBTCUCJLONIG-BNMXKZFLSA-N
BEILSTEIN
——
EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
计算性质
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辛醇/水分配系数(LogP)：2.44
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重原子数：48.0
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可旋转键数：7.0
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环数：2.0
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sp3杂化的碳原子比例：0.88
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拓扑面积：182.88
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氢给体数：3.0
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氢受体数：14.0
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— 5-O-desosaminyl-6-O-methylerythronolide A 9-oxime 561327-03-5 C30H56N2O10 604.782 —— clarithromycin 9(E)-oxime 127253-06-9 C38H70N2O13 762.979 —— 2',4"-bis(trimethylsilyl)-6-O-methylerythromycin A 9-O-(1-ethoxycyclohexyl)oxime 756821-72-4 C52H100N2O14Si2 1033.54 克拉霉素 clarithromycin 81103-11-9 C38H69NO13 747.965 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-prop-2-ynoxyimino-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] acetate 1422364-30-4 C35H60N2O11 684.868 —— [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,5R,6S,7S,8R,9R,11R,12E,13S,14R)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,16-dioxo-12-prop-2-ynoxyimino-3,15,17-trioxabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate 1422364-31-5 C36H58N2O12 710.863 —— [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,5R,7R,8R,9R,11R,12E,13S,14R)-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,16-trioxo-12-prop-2-ynoxyimino-3,15,17-trioxabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate 1422364-32-6 C36H56N2O12 708.847 —— (E)-5-O-desosaminyl-3-O-(3-pyridyl)acetyl-6-O-methylerythronolide A 9-oxime 561327-07-9 C37H61N3O11 723.905 —— [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,5R,7R,8R,9R,11R,12E,13S,14R)-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,16-trioxo-12-(3-pyrimidin-5-ylprop-2-ynoxyimino)-3,15,17-trioxabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate 1429398-20-8 C40H58N4O12 786.92 —— pyridin-3-yl-acetic acid 10-(3-acetoxy-4-dimethylamino-6-methyl-tetrahydro-pyran-2-yloxy)-4-ethyl-14-hydroxyimino-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6-dioxo-dodecahydro-1,3,5-trioxa-cyclopentacyclotetradecen-8-yl ester 561327-29-5 C40H61N3O13 791.937 —— [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,5R,7R,8R,9R,11R,12E,13S,14R)-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,16-trioxo-12-(3-thiophen-2-ylprop-2-ynoxyimino)-3,15,17-trioxabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate 1429398-24-2 C40H58N2O12S 790.973 —— [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,5R,7R,8R,9R,11R,12E,13S,14R)-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,16-trioxo-12-(3-pyridin-3-ylprop-2-ynoxyimino)-3,15,17-trioxabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate 1429398-22-0 C41H59N3O12 785.932 —— [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,5R,7R,8R,9R,11R,12E,13S,14R)-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,16-trioxo-12-(3-pyridin-2-ylprop-2-ynoxyimino)-3,15,17-trioxabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate 1429398-23-1 C41H59N3O12 785.932 —— (E)-5-mycaminosyl-3-O-descladinosyl-6-O-methyl-3-oxo-erythronolide A 9-oxime-11,12-cyclic-carbonate —— C31H52N2O12 644.76 —— (1R,2R,5R,7R,8R,9R,11R,12E,13S,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-12-(3-pyrimidin-5-ylprop-2-ynoxyimino)-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,6,16-trione 1422364-37-1 C38H56N4O11 744.883 —— (1R,2R,5R,7R,8R,9R,11R,12E,13S,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-12-(3-thiophen-2-ylprop-2-ynoxyimino)-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,6,16-trione 1422364-34-8 C38H56N2O11S 748.935 —— (E)-5-(4-O-(2-chloroethyl)carbamoyl-mycaminosyl)-3-O-descladinosyl-6-O-methyl-3-oxo-erythronolide A 9-O-((2-chloroethyl)carbamoyl)oxime-11,12-cyclic-carbonate —— C37H60Cl2N4O14 855.808 —— (E)-5-(4-O-pentylcarbamoyl-mycaminosyl)-3-O-descladinosyl-6-O-methyl-3-oxo-erythronolide A 9-O-(pentylcarbamoyl)oxime-11,12-cyclic-carbonate —— C43H74N4O14 871.079 —— [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1R,2R,5R,7R,8R,9R,11R,12E,13S,14R)-2-ethyl-12-[3-(1H-indol-5-yl)prop-2-ynoxyimino]-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,16-trioxo-3,15,17-trioxabicyclo[12.3.0]heptadecan-8-yl]oxy]-6-methyloxan-3-yl] acetate 1429398-16-2