2',3'-isopropylideneadenosine-5'-carboxylic acid | 19234-66-3
分子结构分类
中文名称
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中文别名
——
英文名称
2',3'-isopropylideneadenosine-5'-carboxylic acid
英文别名
2',3'-O-isopropylideneadenosine-5'-carboxylic acid；(3aS,4S,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid；2',3'-O-isopropylideneadenosine-5'-uronic acid；2',3'-Isopropyliden-adenosin-5'-carbonsaeure；(3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
CAS
19234-66-3
化学式
C13H15N5O5
mdl
——
分子量
321.293
InChiKey
RRTBBKSJPNRFCG-MCHASIABSA-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
物化性质
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熔点：276-279°C
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沸点：628.9±65.0 °C(Predicted)
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密度：1.92±0.1 g/cm3(Predicted)
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溶解度：可溶于DMSO（轻微）、甲醇（轻微、加热）
计算性质
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辛醇/水分配系数(LogP)：-0.6
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重原子数：23
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可旋转键数：2
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环数：4.0
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sp3杂化的碳原子比例：0.54
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拓扑面积：135
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氢给体数：2
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氢受体数：9
SDS
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 2',3'-异丙叉腺苷 2',3'-isopropylidene adenosine 362-75-4 C13H17N5O4 307.309 —— (3aS,4S,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid 4-nitro-phenyl ester 159647-45-7 C19H18N6O7 442.388 腺苷 adenosine 58-61-7 C10H13N5O4 267.244 —— 5'-(O-tert-butyldimethylsilyl)adenosine 69530-93-4 C16H27N5O4Si 381.507 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 2',3'-O-isopropylideneadenosine-5'-carboxylic acid methyl ester 23754-29-2 C14H17N5O5 335.319 —— 1-(6-amino-purin-9-yl)-O2,O3-isopropylidene-β-D-1-deoxy-ribofuranuronic acid ethyl ester 35803-48-6 C15H19N5O5 349.346 —— (3aS,4S,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid 4-nitro-phenyl ester 159647-45-7 C19H18N6O7 442.388 —— 5'-N-methyl-2',3'-O-isopropylidenecarboxamidoadenosine 39491-51-5 C14H18N6O4 334.335 —— (3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-N-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide 1034341-32-6 C13H16N6O5 336.307 —— ethyl (3aR,4R,6S,6aS)-4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate 176166-66-8 C15H17ClN4O5 368.777 5'-乙基甲酰氨基-2',3'-异亚丙基腺苷 adenosine-5'-N-ethyluronamide 39491-53-7 C15H20N6O4 348.362 —— 5'-N-(n-propyl)-2',3'-O-isopropylidenecarboxamidoadenosine 222527-40-4 C16H22N6O4 362.388 —— (3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-N-butyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide 159625-87-3 C17H24N6O4 376.415 —— (3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-2,2-dimethyl-N-pentyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide 1053699-95-8 C18H26N6O4 390.442 —— (3aR,4R,6S,6aS)-N-(8-aminooctyl)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide 1054746-65-4 C21H33N7O4 447.538 —— (3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-2,2-dimethyl-N-undecyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide 1053255-99-4 C24H38N6O4 474.604 —— (3aR,4R,6S,6aS)-N-(8-acetamidooctyl)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide 1053626-23-5 C23H35N7O5 489.575 —— (3aR,4R,6S,6aS)-N-(2-aminoethyl)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide 152918-45-1 C15H21N7O4 363.376 —— 5'-N-(2-chloroethyl)-2',3'-O-isopropylidenecarboxamidoadenosine —— C15H19ClN6O4 382.807 —— 5'-N-isopropyl-2',3'-O-isopropylidenecarboxamidoadenosine 222527-41-5 C16H22N6O4 362.388 —— 5'-N-(2-fluoroethyl)-2',3'-O-isopropylidene-carboxamidoadenosine —— C15H19FN6O4 366.352 —— 5'-N-(2-[18F]fluoroethyl)-2',3'-O-isopropylidene-carboxamidoadenosine 291771-78-3 C15H19FN6O4 365.354 —— ethyl (3aR,4R,6S,6aS)-4-[6-(2,2-diphenylethylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate 176166-67-9 C29H31N5O5 529.596 2',3'-O-异亚丙基肌苷-5'-甲酸 2',3'-O-isopropylideneinosine-5'-carboxylic acid 28440-13-3 C13H14N4O6 322.277 —— 5'-N-(2,2,2-trifluoroethyl)-[(2,3-O-isopropylidene-β-D-ribofuranosyl)adenine]uronamide —— C15H17F3N6O4 402.333 —— 5'-N-(tert-butyl)-2',3'-O-isopropylidenecarboxamidoadenosine 222527-43-7 C17H24N6O4 376.415 —— 2',3'-O-isopropylideneadenosine-5'-(N-methoxy)carboxamide 54925-48-3 C14H18N6O5 350.334 —— (3aS,4S,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid sec-butylamide 1053644-59-9 C17H24N6O4 376.415 —— 5'-N-cyclopropyl-2',3'-O-isopropylidenecarboxamidoadenosine 58048-28-5 C16H20N6O4 360.373 —— 5'-N,N-ethylene-2',3'-O-isopropylidenecarboxamidoadenosine —— C15H18N6O4 346.346 —— 1-(6-amino-purin-9-yl)-O2,O3-isopropylidene-β-D-1-deoxy-ribofuranuronic acid ethoxyamide 54925-49-4 C15H20N6O5 364.361 —— ethyl adenosine-5'-carboxylate 35803-57-7 C12H15N5O5 309.282 —— (3aS,4S,6R,6aR)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid diethylamide —— C17H24N6O4 376.415 腺苷酸-5-羧酸 adenosine 5'-carboxylic acid 3415-09-6 C10H11N5O5 281.228 —— (2R)-2-[[(3aR,4R,6S,6aS)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbonyl]amino]propanoic acid 1374251-01-0 C16H20N6O6 392.371 —— (3aR,4R,6S,6aS)-N-(2-adamantyl)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide 1054667-98-9 C23H30N6O4 454.529 —— 5'-N-ethyl-2',3'-O-isopropylidenethiocarboxamidoadenosine 222527-48-2 C15H20N6O3S 364.428 —— (3aR,4R,6S,6aS)-4-[6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide 176166-72-6 C29H32N6O4 528.611 —— N-{2,2-dimethyl-6-[6-(3-phenyl-ureido)-purin-9-yl]-tetrahydro-furo[3,4-d][1,3]dioxole-4-carbonyl}-methanesulfonamide —— C21H23N7O7S 517.522 —— (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(1-hydroxyethyl)tetrahydrofuran-3,4-diol 847659-02-3 C11H15N5O4 281.271 —— (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((S)-1-hydroxyethyl)tetrahydrofuran-3,4-diol 35868-16-7 C11H15N5O4 281.271 —— (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((R)-1-hydroxyethyl)tetrahydrofuran-3,4-diol 3253-81-4