methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-2-chloro-3,4,5-trideoxy-β-D-glycerol-D-galacto-2-nonulopyranosid)onate | 163860-77-3
中文名称
——
中文别名
——
英文名称
methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-2-chloro-3,4,5-trideoxy-β-D-glycerol-D-galacto-2-nonulopyranosid)onate
英文别名
methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-D-glycero-β-D-galacto-non-2-ulopyranosyl)onate chloride；methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-D-glycero-β-D-galacto-nonulopyranosyl chloride)onate；methyl (2R,4S,5R,6R)-5-acetamido-4-azido-2-chloro-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CAS
163860-77-3
化学式
C18H25ClN4O10
mdl
——
分子量
492.87
InChiKey
OQYFBKSHYGGFFA-AIVZJVSBSA-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)：0.9
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重原子数：33
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可旋转键数：13
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环数：1.0
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sp3杂化的碳原子比例：0.72
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拓扑面积：158
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氢给体数：1
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氢受体数：12
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 —— (1S,2R)-1-((2R,3R,4S,6R)-3-acetamido-6-acetoxy-4-azido-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate 725725-10-0 C20H28N4O12 516.462 —— methyl (2S,4S,5R,6R)-5-acetamido-4-azido-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate 725725-09-7 C12H20N4O8 348.313 —— methyl (4S,5R)-5-acetamido-4-azido-5-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypentanoate 725725-06-4 C18H30N4O8 430.458 —— methyl (4S,5R)-5-acetamido-4-azido-5-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxopentanoate 725725-07-5 C18H28N4O8 428.442 —— N-((1R,2S)-2-azido-4,5-dihydroxy-1-((4S,4'R,5R)-2,2,2',2'-tetramethyl-[4,4'-bi(1,3-dioxolan)]-5-yl)pentyl)acetamide 725725-05-3 C17H30N4O7 402.448 —— N-[(1R,2S)-2-azido-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enyl]acetamide 639476-18-9 C17H28N4O5 368.433 5-乙酰氨基-7,8,9-O-三乙酰基-2,6-脱水-4-叠氮-3,4,5-三脱氧-D-甘油-D-半乳-2-壬烯酸甲酯 methyl 5-acetamido-4-azido-6-(1,2,3-triacetoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylate 130525-58-5 C18H24N4O10 456.409 —— (4R,5S,6R,7R,8R)-N4-benzyl-N4-acetyl-5-benzyloxy-6,7:8,9-di-O-isopropylidene-1-nonene 639476-05-4 C31H41NO6 523.67 —— 1-[(2R,3R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enylaziridin-1-yl]ethanone 639476-15-6 C17H27NO5 325.405 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— methyl (methyl 5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-2-thio-D-glycero-α-D-galacto-nonulopyranosid)onate 163860-78-4 C19H28N4O10S 504.518 —— di-S-[methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosyl)onate]hexaethylene glycol 1538572-69-8 C48H74N8O25S2 1227.29 —— di-S-[methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosyl)onate]pentaethylene glycol 1538572-67-6 C46H70N8O24S2 1183.23 —— di-S-[methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosyl)onate]tetraethylene glycol 1538572-65-4 C44H66N8O23S2 1139.18 —— 1, 6-di-S-[methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosyl)onate]hexane 1538572-61-0 C42H62N8O20S2 1063.13 —— 1,12--S-[methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosyl)onate]dodecane 1538572-63-2 C48H74N8O20S2 1147.29 —— 6-S-[methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosyl)onate]-1-thiolacetetylhexane 1538572-49-4 C26H40N4O11S2 648.756 —— methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-2-thioacetyl-3,4,5-trideoxy-α-D-glycero-D-galacto-2-nonulopyranosid)onate 202654-12-4 C20H28N4O11S 532.529 —— methyl (4-nitrophenyl 5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-D-glycero-β-D-galactonon-2-ulopyranosid)onate 1453411-78-3 C24H29N5O13 595.52 —— (1S,2R)-1-((2R,3R,4S,6S)-3-acetamido-6-((6-(acetylthio)hexyl)thio)-4-amino-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate 1538572-51-8 C26H42N2O11S2 622.758 —— 4-nitrophenyl 5-acetamido-4-azido-3,4,5-trideoxy-α-D-glycero-D-galacto-non-2-ulpyranosylonic acid 1453411-68-1 C17H21N5O10 455.381 5-乙酰氨基-7,8,9-O-三乙酰基-2,6-脱水-4-叠氮-3,4,5-三脱氧-D-甘油-D-半乳-2-壬烯酸甲酯 methyl 5-acetamido-4-azido-6-(1,2,3-triacetoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylate 130525-58-5 C18H24N4O10 456.409 —— methyl (4-nitrophenyl 5-acetamido-7,8,9-tri-O-acetyl-4-amino-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosid)onate 1453411-79-4 C24H31N3O13 569.522 —— 6-S-[methyl (5-acetamido-7,8,9-tri-O-acetyl-3,4,5-trideoxy-4-(N-tert-butyloxycarbonyl)-amino-D-glycero-α-D-galacto-non-2-ulopyranosyl)onate]-1-thioacetylhexane 1538572-55-2 C31H50N2O13S2 722.876 —— methyl (4-nitrophenyl 5-acetamido-7,8,9-tri-O-acetyl-3,4,5-trideoxy-4-isopropylamino-D-glycero-α-D-galacto-non-2-ulopyranosid)onate 1453411-83-0 C27H37N3O13 611.603 —— methyl (4-nitrophenyl 4,5-diacetamido-7,8,9-tri-O-acetyl-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosid)onate 1453411-81-8 C26H33N3O14 611.56 —— methyl (4-nitrophenyl 5-acetamido-7,8,9-tri-O-acetyl-3,4,5-trideoxy-4-dimethylamino-D-glycero-α-D-galacto-non-2-ulopyranosid)onate 1453411-82-9 C26H35N3O13 597.576 —— 6-S-[methyl (5-acetamido-7,8,9-tri-O-acetyl-3,4,5-trideoxy-4-(bis-N,N'-tert-butyloxycarbonyl)-guanidino-D-glycero-α-D-galacto-non-2-ulopyranosyl)onate]-1-thioacetylhexane 1538572-53-0 C37H60N4O15S2 865.033 —— methyl (4-nitrophenyl 5-acetamido-7,8,9-tri-O-acetyl-4-[2,3-bis(tert-butoxycarbonyl)guanidino]-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosid)onate 1453411-84-1 C35H49N5O17 811.797 —— di-S-[5-acetamido-4-amino-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-enonic acid]hexaethylene glycol 1538572-79-0 C34H62N4O19S2 895.014 —— di-S-[5-acetamido-4-amino-3,4, 5-trideoxy-D-glycero-α-D-galacto-non-2-enonic acid]tetraethylene glycol 1538572-75-6 C30H54N4O17S2 806.907 —— di-S-[5-acetamido-4-amino-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-enonic acid]pentaethylene glycol 1538572-77-8 C32H58N4O18S2 850.961 —— 6-S-[5-acetamido-3,4,5-trideoxy-4-amino-D-glycero-α-D-galacto-enonic acid]-1-thiolhexane 1538572-57-4 C17H32N2O7S2 440.582 —— 1, 6-di-S-[5-acetamido-4-amino-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-enonic acid]hexane 1538572-71-2 C28H50N4O14S2 730.855 —— 1,12-di-S-[5-acetamido-4-amino-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-enonic acid]dodecane 1538572-73-4 C34H62N4O14S2 815.017 —— 6-S-[(5-acetamido-4-guanidino-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosyl) onate]-1-thiolhexane 1538572-59-6 C18H34N4O7S2 482.623 —— 4-nitrophenyl 5-acetamido-4-amino-3,4,5-trideoxy-α-D-glycero-D-galacto-non-2-ulpyranosylonic acid 1453411-70-5 C17H23N3O10 429.384 —— 4-nitrophenyl 4,5-diacetamido-3,4,5-trideoxy-α-D-glycero-D-galacto-non-2-ulpyranosylonic acid 1453411-71-6 C19H25N3O11 471.421 —— 4-nitrophenyl 5-acetamido-3,4,5-trideoxy-4-isopropylamino-α-D-glycero-D-galacto-non-2-ulopyranosylonic acid 1453411-73-8 C20H29N3O10 471.464 —— 4-nitrophenyl 5-acetamido-3,4,5-trideoxy-4-dimethylamino-α-D-glycero-D-galacto-non-2-ulpyranosylonic acid 1453411-72-7 C19H27N3O10 457.437 —— 4-nitrophenyl 5-acetamido-3,4,5-trideoxy-4-guanidino-α-D-glycero-D-galacto-non-2-ulpyranosylonic acid 1453411-74-9 C18H25N5O10 471.424 —— methyl (4-nitrophenyl 5-acetamido-4-(1-triazolyl)-3,4,5-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosid)onate 1453411-80-7 C20H25N5O10 495.446 —— 4-nitrophenyl 5-acetamido-3,4,5-trideoxy-4-(1-triazolyl)-α-D-glycero-D-galacto-non-2-ulpyranosylonic acid 1453411-69-2 C19H23N5O10 481.419 - 1
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反应信息
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作为反应物：描述：methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-2-chloro-3,4,5-trideoxy-β-D-glycerol-D-galacto-2-nonulopyranosid)onate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以98%的产率得到5-乙酰氨基-7,8,9-O-三乙酰基-2,6-脱水-4-叠氮-3,4,5-三脱氧-D-甘油-D-半乳-2-壬烯酸甲酯参考文献：