10139-18-1 (葡萄糖-1,6-二磷酸,4CHA盐,a-D-Glucopyranose,1,6-bis(dihydrogen phosphate))

CAS号:
10139-18-1
中文名称:
葡萄糖-1,6-二磷酸,4CHA盐
英文名称:
a-D-Glucopyranose,1,6-bis(dihydrogen phosphate)
分子式:
C6H14O12P2
分子量:
340.115684986115

葡萄糖-1,6-二磷酸,4CHA盐(10139-18-1)名称与标识符

名称

中文别名:
葡萄糖-1,6-二磷酸,4CHA盐;
英文别名:
a-D-Glucopyranose,1,6-bis(dihydrogen phosphate);6-phospho-α-D-glucopyranosyl-1-phosphate;alpha-D-glucose 1,6-bis(dihydrogen phosphate);1,6-di-O-phosphono-alpha-D-glucopyranose;1,6-di-O-phosphonohexopyranose;2,6-di-O-phosphono-D-glucose;alpha-D-Glucopyranose, 1,6-bis(dihydrogen phosphate);Glucose-1,6-bisphosphate;C00660;D-Glucose 1,6-biphosphate;D-Glucose 1,6-bisphosphate;alpha-D-Glucose 1,6-bisphosphate;α-D-Glucopyranose 1,6-bisphosphoric acid;[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxyphosphonic acid;a-D-Glucose 1,6-bis(dihydrogen phosphate);glucose-1,6-diphosphate;a-D-Glucose 1,6-diphosphate;alpha-D-Glucose 1,6-biphosphate;DTXSID801014547;alpha-delta-Glucose 1,6-bisphosphate;Glucose 1,6-diphosphate (6CI,7CI);DB02835;Alpha-D-1,6-bis(dihydrogen phosphate) Glucopyranose;G16;bmse000087;EINECS 233-395-5;Glucose-1,3-bisphosphate;Glucose 1,6-diphosphate;.alpha.-D-Glucose 1,6-bisphosphate;delta-Glucose 1,6-diphosphate;{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}phosphonic acid;FFE24833-162C-479C-90C5-CDF93D1E899A;.alpha.-D-Glucose 1,6-bisphosphate potassium salt hydrate;(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((phosphonooxy)methyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate;SCHEMBL1266885;[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate;alpha-D-glucopyranose 1,6-bis(dihydrogen phosphate);C01231;.alpha.-D-Glucopyranose, 1,6-bis(dihydrogen phosphate);glucose 1, 6-diphosphate;alpha-D-Glucopyranose, 1,6-bis(dihydrogen phosphate) (9CI);D-Glucose 1,6-diphosphate;alpha-delta-Glucose 1,6-diphosphate;alpha-delta-Glucose 1,6-bis(dihydrogen phosphate);UNII-DRX17R6AM2;CHEBI:18148;alpha-D-Glucose 1,6-diphosphate;DRX17R6AM2;NS00015296;Glucose 1,6-bisphosphate;alpha-Glucose 1,6-diphosphate;beta-d-glucose 1,6-(bis)phosphate;Alpha-delta-1,6-bis(dihydrogen phosphate) Glucopyranose;Q4122197;10139-18-1;Glucopyranose, 1,6-bis(dihydrogen phosphate), alpha-D- (8CI);2fkf;GLUCOPYRANOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE), .ALPHA.-D-;a-D-Glucose 1,6-bisphosphate;

标识符

InChIKey:
RWHOZGRAXYWRNX-VFUOTHLCSA-N
Inchi:
1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1
SMILES:
P(=O)(O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O1)O)O)O

葡萄糖-1,6-二磷酸,4CHA盐(10139-18-1)物化性质

实验特性

  • LogP : -4.374
  • PSA : 223.06000
  • 折射率 : 1.596
  • 沸点 : 733.2°Cat760mmHg
  • 闪点 : 397.2°C
  • 密度 : 2.05

计算特性

  • 精确分子量 : 339.99605g/mol
  • 氢键供体数量 : 7
  • 氢键受体数量 : 12
  • 可旋转化学键数量 : 5
  • 同位素质量 : 339.99605g/mol
  • 重原子数量 : 20
  • 复杂度 : 414
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 0
  • 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) : -5.3
  • 拓扑分子极性表面积 : 203Ų
  • 分子量 : 340.12g/mol

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