146622-45-9 (phytanoyl-CoA,Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate))

CAS号:
146622-45-9
中文名称:
phytanoyl-CoA
英文名称:
Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
分子式:
C41H74N7O17P3S
分子量:
1062.0493

phytanoyl-CoA(146622-45-9)名称与标识符

名称

英文别名:
Coenzyme A,S-(3,7,11,15-tetramethylhexadecanoate);S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethy;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-[(3S,7S,11R)-3,7,11,15-tetramethylhexadecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid;Phytanoyl-CoA;S-{1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,;PUBCHEM_60210075;C02060;S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-;Phytanoyl Coenzyme A;146622-45-9;3,7,11,15-tetramethyl hexadecanoyl coenzyme A;3,7,11,15-tetramethyl hexadecanoyl CoA;Phytanoyl-coenzyme A;S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S,7R,11R)-3,7,11,15-tetramethylhexadecanethioate;Phytanyl CoA;Q3382054;Phytanoyl CoA;Phytanyl coenzyme A;Phytanic acid coenzyme A ester;

标识符

InChIKey:
NRJQGHHZMSOUEN-HZLKACBZSA-N
Inchi:
1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t27-,28-,29+,30-,34-,35-,36+,40-/m1/s1
SMILES:
S(C([H])([H])C([H])([H])N([H])C(C([H])([H])C([H])([H])N([H])C([C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@]1([H])[C@]([H])([C@]([H])([C@]([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C23)O1)O[H])OP(=O)(O[H])O[H])O[H])=O)=O)C(C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O

phytanoyl-CoA(146622-45-9)物化性质

实验特性

  • LogP : 7.39180
  • PSA : 425.34000
  • 折射率 : 1.621
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 1.49

计算特性

  • 精确分子量 : 1061.40747608g/mol
  • 氢键供体数量 : 9
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 34
  • 同位素质量 : 1061.40747608g/mol
  • 重原子数量 : 69
  • 复杂度 : 1760
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.9
  • 拓扑分子极性表面积 : 389

phytanoyl-CoA(146622-45-9)安全信息

phytanoyl-CoA(146622-45-9)推荐厂家 更多厂家(4)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海甄准生物科技有限公司 13816009161
021-68920155
姜经理13816009161 3001086693
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上海赛可锐生物科技有限公司 13003271654
021-58000709
赛可锐生物 3004122151
询单

phytanoyl-CoA(146622-45-9)合成路线

合成路线:3 步
反应条件:
参考文献:
Studies on phytanoyl-CoA 2-hydroxylase and synthesis of phytanoyl-Coenzyme A
By Kershaw, N. J. et al, Bioorganic & Medicinal Chemistry Letters, 2001, 11(18), 2545-2548

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