2140-58-1 (ADP-Glucose,Adenosine 5'-(trihydrogen diphosphate), P'-α-D-glucopyranosyl ester)

CAS号:
2140-58-1
中文名称:
ADP-Glucose
英文名称:
Adenosine 5'-(trihydrogen diphosphate), P'-α-D-glucopyranosyl ester
分子式:
C16H25N5O15P2
分子量:
589.341726064682

ADP-Glucose(2140-58-1)名称与标识符

名称

英文别名:
Adenosine5'-(trihydrogen diphosphate), P'-a-D-glucopyranosyl ester; Adenosine pyrophosphate-glucose; Adenosine diphosphoglucose; Adenosine diphosphate glucose; Adenosine diphosphate D-glucose; Adenosine 5'-pyrophosphate, α-D-glucosyl ester; Adenosine 5'- pyrophosphate, glucosyl ester; Adenosine 5'-pyrophosphate mono-D-glucosyl ester; Adenosine 5'-diphosphoglucose; Adenosine 5'-(trihydrogen pyrophosphate) mono-α-D-glucosyl ester; Adenosine 5'-(trihydrogen pyrophosphate) mono-D-glucosyl ester; ADP-Glucose; ADP-D-glucose; Adenosine 5'-pyrophosphate, α-D-glucopyranosyl ester (7CI);Adenosine 5'-(trihydrogen pyrophosphate), mono-α-D-glucopyranosyl ester (8CI);Adenosine 5'-(trihydrogen diphosphate), P'-α-D-glucopyranosyl ester;CHEBI:15751;Adenosine 5'-pyrophosphate mono-D-glucosyl ester;Adenosine pyrophosphate-glucose;SCHEMBL8176294;Adenosine diphosphoglucose;adenosine diphosphate glucose;DTXSID101318219;ADP-glucose;Adenosine 5'-(trihydrogen diphosphate) glucopyranosyl ester;Adenosine 5'-diphosphoglucose;Adenosine 5'-(trihydrogen pyrophosphate) mono-D-glucosyl ester;ADPglucose;ADPG;ADP-D-glucose;ADP Glucose;Adenosine 5'-(trihydrogen diphosphate) P'-alpha-delta-glucopyranosyl ester;{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid;Adenosine 5'-(trihydrogen pyrophosphate) mono-delta-glucosyl ester;2140-58-1;ADP alpha-D-glucoside;ADENOSINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;PD060258;DB01774;Adenosine diphosphate D-glucose;Adenosine 5'-pyrophosphate alpha-delta-glucosyl ester;Adenosine 5'-(trihydrogen diphosphate), P'-alpha-D-glucopyranosyl ester;Adenosine 5'-pyrophosphate a-delta-glucosyl ester;ADP-alpha-D-glucose;ADQ;Adenosine pyrophosphateglucose;Q27098215;adenosine 5'-[3-(alpha-D-glucopyranosyl) dihydrogen diphosphate];Adenosine 5'-pyrophosphate glucosyl ester;ADENOSINE-5'-DIPHOSPHATE-GLUCOSE;Adenosine 5'-pyrophosphate mono-delta-glucosyl ester;Adenosine 5'-pyrophosphate alpha-D-glucosyl ester;CHEMBL227552;C00498;Adenosine 5'-pyrophosphate, α-D-glucopyranosyl ester (7CI);Adenosine 5'-(trihydrogen pyrophosphate) mono-α-D-glucosyl ester;Adenosine 5'-pyrophosphate, glucosyl ester;Adenosine 5'-pyrophosphate, α-D-glucosyl ester;[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name);[[(2R, 3S, 4R, 5R)-5-(6-aminopurin-9-yl)-3, 4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphinic acid;NS00015209;ADPmannose;ADP-alpha-D-mannose;Adenosine diphosphate-mannose;APD-D-mannose;ADP alpha-D-glucoside dianion;

标识符

InChIKey:
WFPZSXYXPSUOPY-ROYWQJLOSA-N
Inchi:
1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1
SMILES:
P(=O)(O)(OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

ADP-Glucose(2140-58-1)物化性质

实验特性

  • LogP : -3.34060
  • PSA : 331.37000
  • 折射率 : 1.867
  • 沸点 : 997.5°Cat760mmHg
  • 闪点 : 557.1°C
  • 密度 : 2.42

计算特性

  • 精确分子量 : 589.082
  • 氢键供体数量 : 9
  • 氢键受体数量 : 19
  • 可旋转化学键数量 : 9
  • 同位素质量 : 589.082
  • 重原子数量 : 38
  • 复杂度 : 925
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 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) : _6.2
  • 拓扑分子极性表面积 : 312A^2

ADP-Glucose(2140-58-1)推荐厂家 更多厂家(1)

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
询单

ADP-Glucose(2140-58-1)合成路线

合成路线:1 步
反应条件:
参考文献:
A Simple Synthesis of Sugar Nucleoside Diphosphates by Chemical Coupling in Water
By Tanaka, Hidenori et al, Angewandte Chemie, 2012, 51(46), 11531-11534

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