2^I-O-diphosphoramidophosphonocyclomaltohexaose

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2^I-O-diphosphoramidophosphonocyclomaltohexaose
• 英文别名: N-[hydroxy(phosphonooxy)phosphoryl]-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,33,34,35,36,37,38,39,40,41,42-undecahydroxy-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-32-yl]oxy]phosphonamidic acid
• 化学式: C₃₆H₆₄NO₃₈P₃
• 分子量: 1211.81
• InChiKey: BXTAXTUYUAHYEB-IZVNSGBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.4
• 重原子数：
  78
• 可旋转键数：
  12
• 环数：
  22.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  617
• 氢给体数：
  22
• 氢受体数：
  39

反应信息

• 作为产物：
  描述：

  α-环糊精 在 cyclo-mono-μ-imidotriphosphate 作用下， 以 水 为溶剂， 反应 312.0h， 以0.1 mmol的产率得到2^I-O-diphosphoramidophosphonocyclomaltohexaose
  参考文献：
  名称：

  Regioselective phosphorylation of branched cyclodextrins with cyclo-mono-μ-imidotriphosphate

  摘要：

  The phosphorylation of the branched cyclodextrins, mono-6-O-(alpha-D-glucopyranosyl)cyclomaltohexaose, mono-6-O-(alpha-D-maltosyl)cyclomaltohexaose, mono-6-O-(alpha-D-glucopyranosyl)cyclomaltoheptaose, and mono-6-O-(alpha-D-maltosyl)cyclomaltoheptaose, in aqueous solution by sodium cyclo-mono-mu-imidotriphosphate (cMITP) was examined. In these reactions, only the 2-OH group of a single alpha-D-glucopyranosyl residue of the cyclodextrin ring was phosphorylated, in a maximum yield of 67%. A possible mechanism for the phosphorylation is discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2005.06.001

文献信息

• Regioselective phosphorylation of branched cyclodextrins with cyclo-mono-μ-imidotriphosphate
  作者：Hideko Inoue、Toyohiro Kawashita、Hirokazu Nakayama、Mitsutomo Tsuhako

  DOI：10.1016/j.carres.2005.06.001

  日期：2005.8

  The phosphorylation of the branched cyclodextrins, mono-6-O-(alpha-D-glucopyranosyl)cyclomaltohexaose, mono-6-O-(alpha-D-maltosyl)cyclomaltohexaose, mono-6-O-(alpha-D-glucopyranosyl)cyclomaltoheptaose, and mono-6-O-(alpha-D-maltosyl)cyclomaltoheptaose, in aqueous solution by sodium cyclo-mono-mu-imidotriphosphate (cMITP) was examined. In these reactions, only the 2-OH group of a single alpha-D-glucopyranosyl residue of the cyclodextrin ring was phosphorylated, in a maximum yield of 67%. A possible mechanism for the phosphorylation is discussed. (c) 2005 Elsevier Ltd. All rights reserved.