CAS: 958-09-8; (2R,3S,5R)-5-(6-Amino-9H-Purin-9-yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Ol

• 英文名称(2R,3S,5R)-5-(6-Amino-9H-Purin-9-yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Ol
• 中文名称(2R,3S,5R)-5-(6-氨基-9H-嘌呤-9-基)-2-(羟甲基)四氢呋喃-3-醇
• IUPAC名称Adenosine, 2'-deoxy,
• 其它别名Deoxyadenosine
• CAS编号958-09-8
• MFCD编号:MFCD00005754
• EINECS号:213-488-7
• 分子式:C10H13N5O3
• 分子量:251.24
• 产品CID: 2012448
• 产品分类有机原料→生命科学→核苷&核苷酸→其他保护性核苷

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: OLXZPDWKRNYJJZ-RRKCRQDMSA-N
• InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1…
• 计算化学: 氢键受体数8.0氢键供体数3可旋转键数2

相似化合物

物理性质

• 熔点187-189°C
• 沸点394.4 °C at 760 mmHg
• 闪点333.1±34.3 °C
• 密度1.9±0.1 g/cm3
• PH:3.8
• pKa:pK1:3.8(+1) (25°C,μ=0.1)
• PSA:119.31
• LogP:-0.9508
• 折射率1.863
• 蒸汽压0.0±1.9 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• 外观形态白色粉末
• 储存条件请置于阴暗处, 惰性气氛中,2-8°C
• 产品应用该化合物是DNA核核素A,配有脱氧胺(T)双层DNA.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  急性毒性 类别3(经口)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H301 |吞咽会中毒.
• 防范说明P264-P270-P330-P405-P501
• 危险等级6.1
• UN编号2811.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 危险类别码Intraperitoneal LD50 (rat) > 800 mg/kg; [RTECS]
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 2'-Deoxyadenosine 主要起始原料 9H-Purin-6-Amine, 9-[2-Deoxy-3,5-O-[1,1,3,3-Tetrakis(1-Methylethyl)-1,3-Disiloxanediyl]-β-L-Erythro-Pentofuranosyl]-
• 73-24-5 = 958-09-8
  反应条件:1.1 Reagents: Monopotassium Phosphate Catalysts: Purine Nucleoside Phosphorylase,Thymidine Phosphorylase Solvents: Water; 5 Min,20 °C; 20 H,20 °C
  标题:Use Of Nucleoside Phosphorylases For The Preparation Of Purine And Pyrimidine 2'-Deoxynucleosides
  作者:Drenichev,Mikhail S.; Alexeev,Cyril S.; Kurochkin,Nikolay N.; Mikhailov,Sergey N.
  参考文献:Advanced Synthesis & Catalysis 日期:2018 卷标:360(2) 页码:305-312]
  
  73-24-5 + 50-89-5 = 958-09-8
  反应条件:1.1 Solvents: Water; Ph 7,45 °C
  标题:Microbial Synthesis Of Antiviral Nucleosides Using Escherichia Coli Bl21 As Biocatalyst
  作者:Rogert,Maria C.; Trelles,Jorge A.; Porro,Silvia; Lewkowicz,Elizabeth S.; Iribarren,Adolfo M.
  参考文献:Biocatalysis And Biotransformation 日期:2002 卷标:20(5) 页码:347-351]
  
  84828-84-2 = 958-09-8
  反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran
  标题:Preparation Of Deoxynucleosides Via Homolytic Deoxygenation Reactions
  参考文献:World Intellectual Property Organization]
  
  17318-18-2 = 958-09-8
  反应条件:1.1 Reagents: Pentaerythritol Solvents: Water; 23 H,Ph 7
  标题:Selective Prebiotic Formation Of Rna Pyrimidine And Dna Purine Nucleosides
  作者:Xu,Jianfeng; Chmela,Vaclav; Green,Nicholas J.; Russell,David A.; Janicki,Mikolaj J.; Et Al
  参考文献:Nature (London 日期:2020 卷标:582(7810) 页码:60-66]
  
  951-78-0 + 73-24-5 = 958-09-8
  反应条件:1.1 Solvents: Water; 4 H,Ph 7,60 °C
  标题:Aeromonas Hydrophila Strains As Biocatalysts For Transglycosylation
  作者:Nobile,Matias; Terreni,Marco; Lewkowicz,Elizabeth; Iribarren,Adolfo M.
  参考文献:Biocatalysis And Biotransformation 日期:2011 卷标:28(5-6) 页码:395-402]
  
  126200-06-4 = 958-09-8
  反应条件:1.1 Reagents: Ammonia Solvents: Methanol; 2 H,5 °C; 15 H,Rt
  标题:Synthesis For 2'-Deoxy-β-Adenosine
  参考文献:China]
  
  4099-81-4 = 958-09-8
  反应条件:1.1 Reagents: Tris(Trimethylsilyl)Silane Catalysts: 2-Mercaptoethanol,1,1′-Azobis(Cyclohexane-1-Carbonitrile) Solvents: Water; 4 H,100 °C
  标题:Radical Reactions In Aqueous Medium Using (Me3Si)3Sih
  作者:Postigo,Al; Kopsov,Sergey; Ferreri,Carla; Chatgilialoglu,Chryssostomos
  参考文献:Organic Letters 日期:2007 卷标:9(25) 页码:5159-5162]
  
  73-24-5 = 958-09-8
  反应条件:1.1 Reagents: Calcium Chloride Catalysts: Purine Nucleoside Phosphorylase Solvents: Water
  标题:Process For Producing Nucleoside Compound
  参考文献:World Intellectual Property Organization]
  
  66503-49-9 = 958-09-8
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Chloroform
  标题:A Facile Method For Deprotection Of Trityl Ethers Using Column Chromatography
  作者:Pathak,Ashish K.; Pathak,Vibha; Seitz,Lainne E.; Tiwari,Kamal N.; Akhtar,Mohammad S.; Et Al
  参考文献:Tetrahedron Letters 日期:2001 卷标:42(44) 页码:7755-7757]
  
  354823-32-8 + 73-24-5 = 958-09-8
  反应条件:1.1 Catalysts: Purine Nucleoside Phosphorylase,Calcium Chloride Solvents: Water
  标题:Process For Selectively Producing 1-Phosphorylated Sugar Derivative Anomer And Process For Producing Nucleoside
  参考文献:World Intellectual Property Organization]
  
  73-24-5 + 50-89-5 = 958-09-8
  反应条件:1.1 Solvents: Water; 2 H,Ph 7,45 °C
  标题:Immobilized Escherichia Coli Bl21 As A Catalyst For The Synthesis Of Adenine And Hypoxanthine Nucleosides
  作者:Trelles,Jorge A.; Bentancor,Leticia; Schoijet,Alejandra; Porro,Silvia; Lewkowicz,Elizabeth S.; Et Al
  参考文献:Chemistry & Biodiversity 日期:2004 卷标:1(2) 页码:280-288]
  
  16373-93-6 = 958-09-8
  反应条件:1.1 Reagents: Water Solvents: Methanol; 18 H,6 °C
  标题:Pd(0)/cu(I)-Mediated Direct Arylation Of 2'-Deoxyadenosines: Mechanistic Role Of Cu(I) And Reactivity Comparisons With Related Purine Nucleosides
  作者:Storr,Thomas E.; Baumann,Christoph G.; Thatcher,Robert J.; De Ornellas,Sara; Whitwood,Adrian C.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2009 卷标:74(16) 页码:5810-5821

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-丙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 防范代码详解
• ➥ 危险代码说明
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