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α、 α-海藻糖6-磷酸 | 4484-88-2

α、 α-海藻糖6-磷酸结构式图片|4484-88-2结构式图片
α、 α-海藻糖6-磷酸
α,α-Trehalose 6-phosphate
4484-88-2
C12H23O14P
422.27600
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:α、 α-海藻糖6-磷酸结构式
122336
名称和标识符
InChIKey LABSPYBHMPDTEL-LIZSDCNHSA-N
Inchi InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
SMILES C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O)O)O)O
别名信息
- 中文别名 -
- 英文别名 -
  • [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxyphosphonic acid
  • trehalose-6-phosphate
  • alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 6-(dihydrogen phosphate)
  • alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate)
  • alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate)
  • {[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}phosphonic acid
  • {[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}phosphonic acid
  • T6P
  • T6P
  • alpha,alpha'-Trehalose 6-phosphate
  • alpha,alpha'-Trehalose 6-phosphate
  • NS00069870
  • NS00069870
  • Trehalose, 6-(dihydrogen phosphate)
  • Trehalose, 6-(dihydrogen phosphate)
  • [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
  • [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
  • .alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl, 6-(dihydrogen phosphate)
  • .alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl, 6-(dihydrogen phosphate)
  • C00689
  • C00689
  • alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside
  • alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside
  • alpha,alpha-trehalose 6-phosphate
  • alpha,alpha-trehalose 6-phosphate
  • alpha,alpha-D-Trehalose-6-(dihydrogenphosphate)
  • alpha,alpha-D-Trehalose-6-(dihydrogenphosphate)
  • DB02430
  • DB02430
  • CHEBI:18283
  • CHEBI:18283
  • ((2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate
  • ((2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate
  • trehalose 6-phosphate
  • trehalose 6-phosphate
  • .alpha.,.alpha.'-Trehalose 6-phosphate
  • 4484-88-2
  • .alpha.,.alpha.'-Trehalose 6-phosphate
  • SCHEMBL20523251
  • 4484-88-2
  • LABSPYBHMPDTEL-LIZSDCNHSA-N
  • SCHEMBL20523251
  • Q27102967
  • LABSPYBHMPDTEL-LIZSDCNHSA-N
  • Q27102967
  • Trehalose 6-phosphate
  • trehalose phosphate
  • alpha,alpha-Trehalose 6-phosphate
物化性质
实验特性
LogP -5.28020
PSA 245.87000
计算特性
精确分子量 422.08300
氢键供体数量 9
氢键受体数量 14
可旋转化学键数量 6
同位素质量 422.08254240g/mol
重原子数量 27
复杂度 528
同位素原子数量 0
确定原子立构中心数量 10
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) -5.8
拓扑分子极性表面积 236Ų
相关文献
专业数据库参考
PubChemId 122336
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