534-68-9 (1,3-Dihydroxy-2-propanyl α-D-galactopyranoside,Floridosid)

CAS号:
534-68-9
中文名称:
1,3-Dihydroxy-2-propanyl α-D-galactopyranoside
英文名称:
Floridosid
分子式:
C9H18O8
分子量:
254.234424114227

1,3-Dihydroxy-2-propanyl α-D-galactopyranoside(534-68-9)名称与标识符

名称

英文别名:
1,3-Dihydroxy-2-propanyl α-D-galactopyranoside;2-O-(α-D-Galactopyranosyl)glycerol;2-O-Talopyranosylmannopyranoside;2-O-Tpmp;floridoside;fluoridoside;WURCS=2.0/2,2,1/[hxh][a2112h-1a_1-5]/1-2/a2-b1;SCHEMBL5545675;534-68-9;(2S,3R,4S,5R,6R)-2-((1,3-Dihydroxypropan-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol;Q27191225;2-O-(alpha-D-galactosyl)glycerol;2-(alpha-D-galactosyl)glycerol;2-glyceryl alpha-D-galactoside;(2S,3R,4S,5R,6R)-2-(1,3-dihydroxypropan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol;Floridosid;CHEBI:111508;2-glyceryl alpha-D-galactopyranoside;alpha-d-galactopyranosyl-(1-2)-glycerol;XF175864;2-O-(alpha-D-galactopyranosyl)glycerol;1,3-dihydroxypropan-2-yl alpha-D-galactopyranoside;2-O-(alpha-D-glucosyl)glycerol;2-O-(alpha-D-glucopyranosyl)glycerol;beta,beta'-dihydroxyisopropyl beta-D-glucopyranoside;2-O-beta-D-glucosylglycerol;2-glyceryl alpha-D-glucopyranoside;glycerol 2-O-beta-D-glucoside;lilioside B;2-O-(beta-D-glucosyl)-sn-glycerol;2-glyceryl beta-D-glucoside;10588-30-4;2-O-(beta-D-glucosyl)glycerol;2-(beta-glucosyl)glycerol;2-(?-D-galactosyl)glycerol;

标识符

InChIKey:
AQTKXCPRNZDOJU-NXRLNHOXSA-N
Inchi:
1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6+,7+,8-,9+/m1/s1
SMILES:
O1[C@@H]([C@@H]([C@H]([C@H]([C@H]1CO)O)O)O)OC(CO)CO

1,3-Dihydroxy-2-propanyl α-D-galactopyranoside(534-68-9)物化性质

实验特性

  • LogP : -3.84390
  • PSA : 139.84000

计算特性

  • 精确分子量 : 254.10000
  • 氢键供体数量 : 6
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 5
  • 同位素质量 : 254.10016753g/mol
  • 重原子数量 : 17
  • 复杂度 : 221
  • 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) : -3.5
  • 拓扑分子极性表面积 : 140Ų

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