Tert-butyl 2-[3-azido-2-[(4-methoxyphenyl)methoxymethyl]-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]oxan-4-yl]oxyacetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Tert-butyl 2-[3-azido-2-[(4-methoxyphenyl)methoxymethyl]-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]oxan-4-yl]oxyacetate
• 英文别名: tert-butyl 2-[3-azido-2-[(4-methoxyphenyl)methoxymethyl]-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]oxan-4-yl]oxyacetate
• 化学式: C28H43N5O9
• 分子量: 593.7
• InChiKey: WUCLSQKRLCSPCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  42
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• [EN] ANOMERIC DERIVATIVES OF MONOSACCHARIDES<br/>[FR] DERIVES ANOMERIQUES DE MONOSACCHARIDES
  申请人：ALCHEMIA PTY LTD

  公开号：WO2003082846A1

  公开（公告）日：2003-10-09

  A compound of formula (I), wherein, n is 0 or 1; R6 and R7 are h ydrogen, or together form a carbonyl oxygen; R1 is selected from the group consisting of hydrogen; -N(Z)Y and -C(Z)Y wherein; When R1 is -N(Z)Y, then: Y is selected from hydrogen, or the following, where G denotes the point of connection to the nitrogen atom in N(Y)Z (i-v); Z is selected from hydrogen or X1; Q is selected from hydrogen or W; The groups W are independently selected from the group consisting of alkyl, alkenyl, alkynyl, heteroalkyl, aryl, heteroaryl, arylalkyl and heteroarylalkyl of 1 to 20 atoms , The groups X1 are independently selected from the group consisting of alkyl, alkenyl, alkynyl, heteroalkyl, acyl, arylacyl, heteroarylacyl, aryl, heteroaryl, arylalkyl and heteroarylalkyl of 1 to 20 atoms , When R1 is -C(Z)Y, then: Y is selected from the group consisting of two hydrogen atoms, a double bonded oxygen (=O) to form a carbonyl, and a triple bonded nitrogen to form a nitrile, Z is absent, or is selected from hydrogen or U, Wherein U is selected from the group consisting of alkyl, alkenyl, alkynyl, heteroalkyl, aminoalkyl, aminoaryl, aryloxy, alkoxy, heteroaryloxy, aminoaryl, aminoheteroaryl, thioalkyl, thioaryl or thioheteroaryl, acyl, arylacyl, heteroarylacyl, aryl, heteroaryl, arylalkyl and heteroarylalkyl of 1 to 20 atoms, . When R1 is H, at least two of the groups R2, R3, R4 and R5 are selected from the group consisting of -OX2 or -N(T)Y, and the others are independently selected from hydrogen, -OH, -OX2, -N(T)Y, wherein Y is as defined above, T is selected from hydrogen or X2; and X2 is independently selected from alkyl, alkenyl, alkynyl, heteroalkyl, aryl, heteroaryl, arylalkyl or heteroarylalkyl of 1 to 20 atoms, When R1 is N(Z)Y or C(Z)Y, at least one of the groups R2, R3, R4 and R5 are selected from the group consisting of -OX2 or -N(T)Y, and the others are independently selected from hydrogen, -OH, -OX2, -N(T)Y, wherein Y is as defined above, T is selected from hydrogen or X2; and X2 is independently selected from alkyl, alkenyl, alkynyl, heteroalkyl, aryl, heteroaryl, arylalkyl or heteroarylalkyl of 1 to 20 atoms.

  一种化合物的化学式（I），其中，n为0或1；R6和R7为氢，或者一起形成羰基氧；R1选自以下群组：氢；-N(Z)Y和-C(Z)Y其中；当R1为-N(Z)Y时，则：Y选自氢，或以下情况，其中G表示N(Y)Z中与氮原子连接的点(i-v)；Z选自氢或X1；Q选自氢或W；W基团独立选自由1至20个原子的烷基，烯基，炔基，杂原子烷基，芳基，杂原子芳基，芳基烷基和杂原子芳基烷基群组，X1基团独立选自由1至20个原子的烷基，烯基，炔基，杂原子烷基，酰基，芳基酰基，杂原子芳基酰基，芳基，杂原子芳基，芳基烷基和杂原子芳基烷基群组，当R1为-C(Z)Y时，则：Y选自两个氢原子，形成羰基的双键氧（=O），形成腈基的三键氮，Z不存在，或选自氢或U，其中U选自由1至20个原子的烷基，烯基，炔基，杂原子烷基，氨基烷基，氨基芳基，芳氧基，烷氧基，杂原子芳氧基，氨基芳基，氨基杂原子芳基，硫代烷基，硫代芳基或硫代杂原子芳基，酰基，芳基酰基，杂原子芳基酰基，芳基，杂原子芳基，芳基烷基和杂原子芳基烷基群组，当R1为H时，R2，R3，R4和R5中至少有两个基团选自-氧基X2或-N(T)Y，其他基团独立选自氢，-羟基，-氧基X2，-N(T)Y，其中Y如上定义，T选自氢或X2；X2独立选自由1至20个原子的烷基，烯基，炔基，杂原子烷基，芳基，杂原子芳基，芳基烷基或杂原子芳基烷基，当R1为N(Z)Y或C(Z)Y时，R2，R3，R4和R5中至少有一个基团选自-氧基X2或-N(T)Y，其他基团独立选自氢，-羟基，-氧基X2，-N(T)Y，其中Y如上定义，T选自氢或X2；X2独立选自由1至20个原子的烷基，烯基，炔基，杂原子烷基，芳基，杂原子芳基，芳基烷基或杂原子芳基烷基。
• Anomeric derivatives of monosaccharides
  申请人：Meutermans Wim

  公开号：US20050245746A1

  公开（公告）日：2005-11-03

  A compound of formula (I), wherein, n is 0 or 1; R6 and R7 are hydrogen, or together form a carbonyl oxygen; R1 is selected from the group consisting of hydrogen; —N(Z)Y and —C(Z)Y wherein; when R1 is —N(Z)Y, then: Y is selected from hydrogen, or the following, where G denotes the point of connection to the nitrogen atom in N(Y)Z (i-v); Z is selected from hydrogen or X1; Q is selected from hydrogen or W; the groups W are independently selected from the group consisting of alkyl, alkenyl, alkynyl, heteroalkyl, aryl, heteroaryl, arylalkyl and heteroarylalkyl of 1 to 20 atoms, the groups X1 are independently selected from the group consisting of alkyl, alkenyl, alkynyl, heteroalkyl, acyl, arylacyl, heteroarylacyl, aryl, heteroaryl, arylalkyl and heteroarylalkyl of 1 to 20 atoms, when R1 is —C(Z)Y, then: Y is selected from the group consisting of two hydrogen atoms, a double bonded oxygen to form a carbonyl, and a triple bonded nitrogen to form a nitrile, Z is absent, or is selected from hydrogen or U, wherein U is selected from the group consisting of alkyl, alkenyl, alkynyl, heteroalkyl, aminoalkyl, aminoaryl, aryloxy, alkoxy, heteroaryloxy, aminoaryl, aminoheteroaryl, thioalkyl, thioaryl or thioheteroaryl, acyl, arylacyl, heteroarylacyl, aryl, heteroaryl, arylalkyl and heteroarylalkyl of 1 to 20 atoms, when R1 is H, at least two of the groups R2, R3, R4 and R5 are selected from the group consisting of —OX2 or —N(T)Y, and the others are independently selected from hydrogen, —OH, —OX2, —N(T)Y, wherein Y is as defined above, T is selected from hydrogen or X2; and X2 is independently selected from alkyl, alkenyl, alkynyl, heteroalkyl, aryl, heteroaryl, arylalkyl or heteroarylalkyl of 1 to 20 atoms, When R1 is N(Z)Y or C(Z)Y, at least one of the groups R2, R3, R4 and R5 are selected from the group consisting of —OX2 or —N(T)Y, and the others are independently selected from hydrogen, —OH, —OX2, —N(T)Y, wherein Y is as defined above, T is selected from hydrogen or X2; and X2 is independently selected from alkyl, alkenyl, alkynyl, heteroalkyl, aryl, heteroaryl, arylalkyl or heteroarylalkyl of 1 to 20 atoms.

  一种式（I）化合物、 其中，n 为 0 或 1；R6 和 R7 为氢，或共同形成一个羰基氧；R1 选自氢、-N(Z)Y 和-C(Z)Y 所组成的组，其中；当 R1 为-N(Z)Y 时，则：Y 选自氢或以下基团，其中 G 表示与 N(Y)Z 中氮原子的连接点（i-v）； Z 选自氢或 X1； Q 选自氢或 W；基团 W 独立地选自由 1 至 20 个原子的烷基、烯基、炔基、杂烷基、芳基、杂芳基、芳烷基和杂芳烷基组成的组，基团 X1 独立地选自由 1 至 20 个原子的烷基、烯基、炔基、杂烷基、酰基、芳酰基、杂芳酰基、芳烷基和杂芳烷基组成的组，当 R1 是-C(Z)Y 时，则当 R1 为-C(Z)Y 时，则： Y 选自由两个氢原子、双键氧形成的羰基和三键氮形成的腈组成的组， Z 不存在，或选自氢或 U，其中 U 选自由烷基、烯基、炔基、杂烷基、氨基烷基、氨基芳基、芳氧基、烷氧基、杂芳氧基、氨基芳基、氨基杂芳基、硫代烷基、硫代芳基或硫代杂芳基组成的组、当 R1 为 H 时，R2、R3、R4 和 R5 中至少有两个基团选自由 -OX2 或 -N(T)Y 组成的组，其他基团独立选自由氢、-OH、-OX2、-N(T)Y，其中 Y 如上定义，T 选自由氢或 X2；当 R1 是 N(Z)Y 或 C(Z)Y 时，至少一个基团 R2、R3、R4 和 R5 选自 -OX2 或 -N(T)Y 组成的组，其他基团独立地选自氢、-OH、-OX2、-N(T)Y，其中 Y 如上所定义，T 选自氢或 X2；当 R1 是 N(Z)Y 或 C(Z)Y 时，至少一个基团 R2、R3、R4 和 R5 选自 -OX2 或 -N(T)Y 组成的组，其他基团独立地选自氢、-OH、-OX2、-N(T)Y，其中 Y 如上所定义，T 选自氢或 X2；X2 独立选自 1 至 20 个原子的烷基、烯基、炔基、杂烷基、芳基、杂芳基、芳烷基或杂芳基。
• ANOMERIC DERIVATIVES OF MONOSACCHARIDES
  申请人：Alchemia Limited

  公开号：EP1487812A1

  公开（公告）日：2004-12-22
• EP1487812A4
  申请人：——

  公开号：EP1487812A4

  公开（公告）日：2006-07-26
• US7737287B2
  申请人：——

  公开号：US7737287B2

  公开（公告）日：2010-06-15