75589-40-1 (1D-5-O-(α-D-吡喃半乳糖基)-4-O-甲基-手性肌醇,1D-5-O-(alpha-D-galactopyranosyl)-4-O-methyl-chiro-inositol)

CAS号:
75589-40-1
中文名称:
1D-5-O-(α-D-吡喃半乳糖基)-4-O-甲基-手性肌醇
英文名称:
1D-5-O-(alpha-D-galactopyranosyl)-4-O-methyl-chiro-inositol
分子式:
C13H24O11
分子量:
356.323065757751
植物源:

1D-5-O-(α-D-吡喃半乳糖基)-4-O-甲基-手性肌醇(75589-40-1)名称与标识符

名称

英文别名:
1D-5-O-(alpha-D-galactopyranosyl)-4-O-methyl-chiro-inositol;O-alpha-D-galactopyranosyl-(1->3)-4-O-methyl-D-myo-inositol;4-O-Methylgalactinol;alpha-D-galactosyl-(1->3)-4-O-methyl-1D-myo-inositol;D-galactosylononitol;galactosyl sequoyitol;3-O-a-D-Galactopyranosyl-4-O-methyl-D-myo-inositol;alpha-D-galactopyranosyl-(1->3)-4-O-methyl-1D-myo-inositol;3-O-a-D-Galactopyranosylononitol;3-(alpha-D-galactosyl)ononitol;(1S,2S,3S,4R,5S,6S)-5-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4-tetrol;(1S,2S,3S,4R,5S,6S)-5-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol;CHEBI:133412;3-O-I+/--D-Galactopyranosyl-4-O-methyl-D-myo-inositol;DTXSID201226732;(1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-methoxycyclohexyl alpha-D-galactopyranoside;75589-40-1;

标识符

InChIKey:
RSYNCMYDVZFZBP-UHFFFAOYSA-N
Inchi:
1S/C13H24O11/c1-22-11-8(19)6(17)7(18)9(20)12(11)24-13-10(21)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3
SMILES:
COC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(O)C1O

1D-5-O-(α-D-吡喃半乳糖基)-4-O-甲基-手性肌醇(75589-40-1)物化性质

实验特性

  • LogP : -5.35630
  • PSA : 189.53000

计算特性

  • 精确分子量 : 356.13200
  • 氢键供体数量 : 8
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 4
  • 同位素质量 : 356.13186158Da
  • 重原子数量 : 24
  • 复杂度 : 409
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 11
  • 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) : -3.334
  • 拓扑分子极性表面积 : 190Ų

1D-5-O-(α-D-吡喃半乳糖基)-4-O-甲基-手性肌醇(75589-40-1)上下游