[5-[5-[(E)-3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-ethyloxolan-3-yl] methyl hydrogen phosphate;[5-[5-[(E)-3-[2-[bis[2-[5-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]pentanoylamino]ethyl]amino]ethylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-ethyloxolan-3-yl] methyl hydrogen phosphate;(2,5-dioxopyrrolidin-1-yl) 5-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]pentanoate;5-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]pentanoic acid

分子结构分类

有机化合物 - 核苷、核苷酸和类似物 - 核糖核苷3'-磷酸盐

中文名称

——

中文别名

——

英文名称

[5-[5-[(E)-3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-ethyloxolan-3-yl] methyl hydrogen phosphate;[5-[5-[(E)-3-[2-[bis[2-[5-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]pentanoylamino]ethyl]amino]ethylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-ethyloxolan-3-yl] methyl hydrogen phosphate;(2,5-dioxopyrrolidin-1-yl) 5-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]pentanoate;5-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]pentanoic acid

英文别名

——

[5-[5-[(E)-3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-ethyloxolan-3-yl] methyl hydrogen phosphate;[5-[5-[(E)-3-[2-[bis[2-[5-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]pentanoylamino]ethyl]amino]ethylamino]-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-ethyloxolan-3-yl] methyl hydrogen phosphate;(2,5-dioxopyrrolidin-1-yl) 5-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]pentanoate;5-[(2Z)-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]pentanoic acid化学式

CAS

——

化学式

C136H161N21O24P2S4+4

mdl

——

分子量

2664.1

InChiKey

HAPXBAPFAYKACG-LZQSHRQASA-Q

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

16.44
重原子数：

187
可旋转键数：

56
环数：

21.0
sp3杂化的碳原子比例：

0.35
拓扑面积：

634
氢给体数：

11
氢受体数：

36

同类化合物

腺苷-3’-磷酸胸苷酰-(3'-5')-胸苷氰基乙基磷酰三酯胸腺嘧啶脱氧核苷3-单磷酸铵盐水合物胞啶-3'-单磷酸二钠盐环(腺苷酰(3'-5')尿苷单磷酸酯) 尿苷酸尿苷溴乙酰甲醇5'-二磷酸酯尿苷氯乙酰甲醇5'-二磷酸酯丁二酸,甲基-,1-(苯基甲基)酯,(2R)-(9CI) [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-4-羟基-2-(羟基甲基)四氢呋喃-3-基]苯基磷酸氢酯 [(2R,3S,4R,5R)-5-(2-氨基-6-氧代-3H-嘌呤-9-基)-2-[(2-甲酰基苯氧基)甲基]-4-羟基四氢呋喃-3-基]磷酸二氢酯 N-苯甲酰基-2'-脱氧-3'-胞苷酸2-氯苯基2-氰基乙基酯 8-[(E)-苄亚基氨基]-2'-脱氧腺苷3'-(磷酸二氢酯) 5-甲基-2'-脱氧胞苷-3'-磷酸 3'-(二氢磷酸)鸟嘌呤核苷 3'-(1-丁基磷酰)腺苷 2ˊ-脱氧胞苷-3ˊ-一磷酸 2-脱氧腺苷-3-单磷酸酯*铵 2'-脱氧鸟苷 3'-(磷酸二氢酯) 2'-脱氧腺苷酰-(3'-5')-2'-脱氧腺苷酰-(3'-5)-2'-脱氧腺苷 2'-脱氧-3'-胞苷酸二钠盐 2' -脱氧3' -磷酸游离酸 [3']thymidylic acid mono-[4-(2-iodo-acetylamino)-phenyl] ester 5-Fluor-1-β-D-arabinofuranosylcytosin-3'-phosphat [3']thymidylic acid mono-[4-(2-bromo-acetylamino)-phenyl] ester O^2'-Methylguanosin-3'-phosphorsaeure uridine-3'-(2-cyanoethyl)phosphate [3']thymidylic acid mono-[4-(2-chloro-acetylamino)-phenyl] ester (1R)-1-(6-amino-purin-9-yl)-O³-phosphono-1,5-anhydro-D-glucitol Thymidin-3'-(2,4-dinitrophenyl)phosphat N⁴-Dimethylamino-methylen-2',5'-bis-O-(1-ethoxy-ethyl)-cytidin-3'-phosphat (2R)-3-((hydroxy(((2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)oxy)phosphoryl)oxy)propane-1,2-diyl dioleate 3-Methyl-uridin-3'-phosphat 2'-O-(tert-butyldimethylsilyl)inosine 3'-(allyl 2-cyanoethylphosphate) 2'-O-(2-tetrahydrofuranyl)-N4-(4-anisoyl)cytidine-3'-(2-chlorophenoxy)phosphoryl-2'-O-(2-tetrahydrofuranyl)-N4-(4-anisoyl)cytidine-3'-(2-chlorophenoxy)phosphoryl-2'-O-(2-tetrahydrofuranyl)-N4-(4-anisoyl)cytidine-3'-(2-chlorophenoxy)phosphoryl-2'-O-(2-tetrahydrofuranyl)-N4-(4-anisoyl)cytidine-3'-[O-(2-cyanoethyl)(2-chlorophenyl)phosphate] Phosphoric acid mono-[(2S,5R)-5-(2,4-diamino-pyrrolo[2,3-d]pyrimidin-7-yl)-2,5-dihydro-furan-2-ylmethyl] ester; compound with triethyl-amine 9-β.D-Glucopyranosyl-adenin-4'-phosphat 4-Oxo-pentanoic acid (2R,3S,5R)-3-[(2-chloro-phenoxy)-hydroxy-phosphoryloxy]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester N(4),O(2')-Dibenzoyl-cytidin-3'-phosphat cis-((5-((4-amino-2-oxopyrimidin-1(2H)-yl)methyl)-1,3-oxathiolan-2-yl)methyl) (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl hydrogen phosphate 1,20-(icosanedioxy)bis-(3'-phosphatidyl-2'-deoxythymidine) 4-N-benzoyl-5'-O-[di(2-cyanoethyloxy)phosphoryl]-2'-deoxycytidylyl-{3'-O^P-(2-cyanoethyl)->5'}-6-N-benzoyl-2',3'-di-O-(tert-butyldimethylsilyl)adenosine [3']uridylic acid mono-[1-(5,6-bis-ethoxycarbonylamino-pyrimidin-4-ylamino)-β-D-1-deoxy-ribofuranos-5-yl] ester 1-β-D-Arabinofuranosylcytidin-3'-phosphat OH[AA]AZMB

分子结构分类

计算性质

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