3685-88-9 ((arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate)

CAS号:
3685-88-9
英文名称:
arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate
分子式:
C12H16O7
分子量:
272.251244544983

arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate(3685-88-9)名称与标识符

名称

英文别名:
arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate;HY-34628;MFCD00063253;3685-88-9;C12H16O7;1,5-Anhydro-2-deoxy-D-arabino-hex-1-enitol 3,4,6-Tri-O-acetyl Ether;D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, 3,4,6-triacetate;TS-00913;[(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate;tri-O-acetyl-glucal;3,4,6-tri-O-Acetyl-D-glucal;V10118;[(2R,3S,4R)-3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate;(2R,3S,4R)-2-(acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate;QR9TXM6ZW3;Tri-O-acetyl-D-glucal;HMS1664N10;1,2-Dideoxy-3,4,6-tri-O-acetyl-D-arabino-1-hexenopyranose;3,4,6-Tris-O-acetyl-D-glucal;3,4,6-Tri-O-acetyl-1,2-dideoxy-D-arabino-hex-1-enopyranose;SCHEMBL62522;EN300-311981;SR-01000632917-1;[(2R,3S,4R)-3,4-diacetoxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate;MT00681;CS-0020143;T1596;DB-005260;AKOS015919129;Q63409466;1,5-Anhydro-2-deoxy-D-arabino-hex-1-enitol triacetate;Triacetyl-D-glucal;Tri-O-acetyl-D-glucal, 98%;CCG-42963;2873-29-2;NS00083654;3,4,6-Tri-O-acetyl-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol;AKOS015924784;

标识符

InChIKey:
LLPWGHLVUPBSLP-UTUOFQBUSA-N
Inchi:
1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1
SMILES:
C1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C=1

arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate(3685-88-9)物化性质

计算特性

  • 精确分子量 : 272.08960285Da
  • 氢键供体数量 : 0
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 7
  • 同位素质量 : 272.08960285Da
  • 重原子数量 : 19
  • 复杂度 : 388
  • 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) : 0.2
  • 拓扑分子极性表面积 : 88.1Ų

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