<1R-(1α,2β,3α,4β,5β)>-5-<(butylaminothiocarbomyl)amino>-1-hydroxymethylcyclopentan-1,2,3,4-tetraol | 219717-69-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: <1R-(1α,2β,3α,4β,5β)>-5-<(butylaminothiocarbomyl)amino>-1-hydroxymethylcyclopentan-1,2,3,4-tetraol
• CAS: 219717-69-8
• 化学式: C₁₁H₂₂N₂O₅S
• 分子量: 294.372
• InChiKey: YRNZVEIAWPVUQH-CDDJKKQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.56
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  125.21
• 氢给体数：
  7.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  <1R-(1α,2β,3α,4β,5β)>-5-<(butylaminothiocarbomyl)amino>-1-hydroxymethylcyclopentan-1,2,3,4-tetraol 在 3-ethyl-2-chlorobenzoxazolium tetrafluoroborate 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以7.0 mg的产率得到<3aR-(3aα,4α,5β,6α,6aα)>-2-butylamino-4-hydroxymethyl-4,5,6,6a-tetrahydro-3aH-cyclopentaoxazole-4,5,6-triol
  参考文献：
  名称：

  Syntheses of 1-deoxynojirimycin-trehalamine-fused and -linked compounds and their biological activities

  摘要：

  1-Deoxynojirimycin-trehalamine-fused and -linked compounds (10, 19a and 19b) were synthesized from 1-deoxy-2,3,4,6-tetra-O-benzylnojirimycin and trehazolamine, which was obtained from natural trehazorin as a degradation product. None of these synthetic compounds exceeded 1-deoxynojirimycin in the inhibitory activities towards rat intestinal maltase and yeast alpha-D-glucosidase. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00966-1
• 作为产物：
  描述：

  丁基异硫氰酸酯 在 盐酸 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 20.0h， 生成 <1R-(1α,2β,3α,4β,5β)>-5-<(butylaminothiocarbomyl)amino>-1-hydroxymethylcyclopentan-1,2,3,4-tetraol
  参考文献：
  名称：

  Syntheses of 1-deoxynojirimycin-trehalamine-fused and -linked compounds and their biological activities

  摘要：

  1-Deoxynojirimycin-trehalamine-fused and -linked compounds (10, 19a and 19b) were synthesized from 1-deoxy-2,3,4,6-tetra-O-benzylnojirimycin and trehazolamine, which was obtained from natural trehazorin as a degradation product. None of these synthetic compounds exceeded 1-deoxynojirimycin in the inhibitory activities towards rat intestinal maltase and yeast alpha-D-glucosidase. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00966-1