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首页 分子通 [(E)-3-[10-[(2S,3S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-5-yl]prop-2-enylidene]-benzyl-methylazanium

[(E)-3-[10-[(2S,3S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-5-yl]prop-2-enylidene]-benzyl-methylazanium

分子结构分类

有机化合物 - 核苷、核苷酸和类似物 - 黄素核苷酸
中文名称
——
中文别名
——
英文名称
[(E)-3-[10-[(2S,3S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-5-yl]prop-2-enylidene]-benzyl-methylazanium
英文别名
——
[(E)-3-[10-[(2S,3S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-5-yl]prop-2-enylidene]-benzyl-methylazanium化学式
CAS
——
化学式
C38H47N10O15P2+
mdl
——
分子量
945.8
InChiKey
AGPLUDZIHVUVBE-WIAAGKFGSA-O
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP)：
    -3.5
  • 重原子数：
    65
  • 可旋转键数：
    17
  • 环数：
    7.0
  • sp3杂化的碳原子比例：
    0.37
  • 拓扑面积：
    350
  • 氢给体数：
    10
  • 氢受体数：
    21

同类化合物

腺嘌呤黄素 核黄素磷酸钠 核黄素杂质B 核黄素5'-焦磷酸盐 核黄素4′,5′-二磷酸酯 [5-(6-氨基嘌呤-9-基)-4-羟基-3-膦酰氧基四氢呋喃-2-基]甲基[[5-(7,8-二甲基-2,4-二氧代苯并[g]蝶啶-10-基)-2,3,4-三羟基戊氧基]-羟基磷酰]磷酸氢酯 [5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基[[5-(7,8-二甲基-2,4-二氧代-6-硫氰酸基苯并[g]蝶啶-10-基)-2,3,4-三羟基戊氧基]-羟基磷酰]磷酸氢酯 [5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基[[5-(7,8-二甲基-2,4-二氧代-6-硫代-1H-苯并[g]蝶啶-10-基)-2,3,4-三羟基戊氧基]-羟基磷酰]磷酸氢酯 [5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基[[5-(6-叠氮基-7,8-二甲基-2,4-二氧代苯并[g]蝶啶-10-基)-2,3,4-三羟基戊氧基]-羟基磷酰]磷酸氢酯 [(2S,3R,4R)-5-(7,8-二甲基-2,4-二氧代苯并[g]蝶啶-10-基)-2,3,4-三羟基戊基]磷酸二氢酯 [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基[[(2S,3R,4S)-5-(7,8-二甲基-2,4-二氧代苯并[g]蝶啶-10-基)-2,3,4-三羟基戊氧基]-羟基磷酰]磷酸氢酯 [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-3,4-二羟基四氢呋喃-2-基]甲基[[(2R,3S,4S)-5-(7,8-二甲基-2,4-二氧代-1,5-二氢苯并[g]蝶啶-10-基)-2,3,4-三羟基戊氧基]-羟基磷酰]磷酸氢酯 2,6-蒽二酚 1-脱氧-1-(7,8-二甲基-2,4-二氧代-1,3,4,5-四氢苯并[g]蝶啶-10(2H)-基)-5-O-膦酰戊糖醇 8-formyl-riboflavin-5′-phosphate riboflavin adenine dinucleotide riboflavin 5'-phosphate [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate;chloride Riboflavin 5'-monophosphate sodium salt dihydrate Flavin adenine dinucleotide sodium salt 6-Hydroxy-fad Riboflavin 5a(2)-(trihydrogen diphosphate), 4a,5-dihydro-4a-hydroperoxy-, Pa(2)a5a(2)-ester with adenosine Lyxoflavin 5'-monophosphate Pharmakon1600-01505763 7,8-dimethyl-2,4-dioxo-10-[(2R,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]benzo[g]pteridin-5-ium-5-sulfonic acid [(2R,3S,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate N(5)-sulfo-FADH2 [[(2R,3S,4R,5R)-5-(6-amino-4,5-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate [[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate [5-(8-Cyano-7-methyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate [(3S)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-oxo-1,2,3lambda5-dioxaphosphiran-1-ium-3-yl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate [(2R,3S,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate [[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate [[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate [[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate [[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate [(E)-3-[10-[(2S,3S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-5-yl]prop-2-enylidene]-benzyl-methylazanium [(2R,3R,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate [(2R,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate [(2R,3R,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate [[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-5-[7,8-dimethyl-5-(2-methylpropanoyl)-2,4-dioxobenzo[g]pteridin-5-ium-10-yl]-2,3,4-trihydroxypentyl] hydrogen phosphate [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-[7,8-dimethyl-5-[(E)-3-[methyl-[(2R)-1-phenylpropan-2-yl]amino]prop-1-enyl]-2,4-dioxo-1H-benzo[g]pteridin-10-yl]-2,3,4-trihydroxypentyl] hydrogen phosphate [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[5-[3-[[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]imino]propyl]-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-yl]pentyl] hydrogen phosphate [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate [[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-5-(7,8-dimethyl-2,4,6-trioxo-1H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate [(2R,3S,4S)-2,3,4-trihydroxy-5-(11,12,14,14-tetramethyl-3,5-dioxo-1,4,6,8-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),9(17),10,12,15-pentaen-8-yl)pentyl] dihydrogen phosphate [(2R,3S,4S)-5-[7,8-dimethyl-5-(3-methylbutyl)-2,4-dioxo-1H-benzo[g]pteridin-10-yl]-2,3,4-trihydroxypentyl] dihydrogen phosphate [[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-oxophosphanium

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