分子内部の分岐度を考慮したアルカン異性体の数え上げ

藤田 眞作

doi:10.11545/ciqs.2008.0.O12.0

31th Symposium on Chemical Information and Computer Sciences, Tokyo

DOI https://doi.org/10.11545/ciqs.2008.0.O12.0

Conference information

Host: Sponsor: Division of Chemical Information and Computer Science, The Chemical Society of Japan

Co-host: The Pharmaceutical Society of Japan, Japan Society for Bioscience, Biotechnology, and Agrochemistry, The Japan Society for Analytical Chemistry, Society of Computer Chemistry, Japan, Japanese Society for Information and Systems in Education (Approaval)

Oral Session

Stereoisomer Enumeration of Alkanes by Considering Internal Branching

*Shinsaku Fujita

Author information

Keywords: enumeration, stereoisomer, alkane, degree of branching

CONFERENCE PROCEEDINGS FREE ACCESS

Pages O12

Details

Abstract

Achiral and chiral alkanes (as three-dimensional structures) are classified into centroidal and bicentroidal alkanes. Then they are enumerated combinatorially, where inequivalence with respect to carbon contents and branching degrees (numbers of quaternary, tertiary, secondary, and primary carbons) are taken into consideration.

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