87335-76-0 ((arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate)

CAS号:
87335-76-0
英文名称:
arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate
分子式:
C10H14O5
分子量:
214.215163707733

arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate(87335-76-0)名称与标识符

名称

英文别名:
arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate;arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, 3,4-diacetate;3,4-Di-O-acetyl-6-deoxy-L-glucal, 98%;SCHEMBL628389;L-arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate;(2S,3S,4S)-3-(ACETYLOXY)-2-METHYL-3,4-DIHYDRO-2H-PYRAN-4-YL ACETATE;[(2S,3S,4S)-3-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate;NCGC00247445-01;STL562225;CS-0198272;34819-86-8;3,4-Di-O-acetyl-6-deoxy-L-glucal (Technical Grade);(2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diyl diacetate;3,4-Di-O-acetyl-1,5-anhydro-2,6-dideoxy-L-arabino-hex-1-enitol;HY-W134051;AS-70788;3,4-Di-O-acetyl-6-deoxy-L-glucal;MFCD00074970;3,4-Di-O-acetyl-L-rhamnal;MD03499;A847933;CHEMBL1535726;Rel-(2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diyl diacetate;AKOS024285296;D2752;A12444;(2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diyldiacetate;HMS2194O08;CHEBI:149474;SMR000639441;MLS001075378;87335-76-0;

标识符

InChIKey:
NDEGMKQAZZBNBB-JUWDTYFHSA-N
Inchi:
1S/C10H14O5/c1-6-10(15-8(3)12)9(4-5-13-6)14-7(2)11/h4-6,9-10H,1-3H3/t6-,9-,10-/m0/s1
SMILES:
O1C=C[C@@H]([C@H]([C@@H]1C)OC(C)=O)OC(C)=O

arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate(87335-76-0)物化性质

计算特性

  • 精确分子量 : 214.08412354Da
  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 4
  • 同位素质量 : 214.08412354Da
  • 重原子数量 : 15
  • 复杂度 : 284
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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) : 0.7
  • 拓扑分子极性表面积 : 61.8Ų

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