关键词: 分子结构, 高维空间, 拓扑编码, 手性

Abstract: Topological properties of higher dimensional spaces are analyzed and a standard graphic method to express such spaces is deduced. An N-dimensional space posesses 2^N vertices which can be arranged according to their Hamming distance values. Molecular structures of organic compounds can be embedded into the frame of a higher dimensional space, and a new topological coding system for the molecular structure of organic compounds is then derived. In this coding system, different superscripts are used to denote different kinds of nonhydrogen atoms. The connection pattern of the nonhydrogen atoms are encoded according to their positions and arrangements in the higher dimensional space. This topological coding system is simple, universal, unique and easy to use. Different kinds of stereoisomers and the chirality of the organic compounds can be distinguished in this coding system. The chirality of L-type and D-type amino acids and their relationship to the topological coding system is particularly analyzed.

Key words: molecular structure, higher dimensional space, topological coding, chirality of alanine