The (+) in D-(+)-glyceraldehyde means it has a positive optical rotation? Wrong!

DOI: 10.14469/hpc/6436 Metadata

Created: 2019-12-06 15:07

Last modified: 2019-12-07 09:56

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Quantum mechanical calculations for the optical rotation of D-(+)-glyceraldehyde.

Files

FilenameSizeTypeDescription
glyceraldehyde.xls 24KB application/vnd.ms-excel Optical rotation data, V1
glyceraldehyde.xls 24KB application/vnd.ms-excel Optical rotation data, V2

Member of collection / collaboration

DOIDescription
10.14469/hpc/177 Computation data for Henry Rzepa's blog

Members

DOIDescription
10.14469/hpc/6403 R-glyceraldehyde 7, optrot = 147.21
10.14469/hpc/6404 R-glyceraldehyde 6, optrot = 146.97
10.14469/hpc/6405 R-glyceraldehyde 5, optrot = 233.43
10.14469/hpc/6406 R-glyceraldehyde 4, optrot = -320.78
10.14469/hpc/6407 R-glyceraldehyde 3, optrot = 419.87
10.14469/hpc/6409 R-glyceraldehyde 2, optrot = -201.41
10.14469/hpc/6408 R-glyceraldehyde 1, optrot = -333.58
10.14469/hpc/6387 R-glyceraldehyde 1
10.14469/hpc/6388 R-glyceraldehyde 2
10.14469/hpc/6390 R-glyceraldehyde 4
10.14469/hpc/6392 R-glyceraldehyde 6
10.14469/hpc/6393 R-glyceraldehyde 7
10.14469/hpc/6391 R-glyceraldehyde 5
10.14469/hpc/6389 R-glyceraldehyde 3

Associated DOIs

Current dataset ...DOIDescription
References 10.14469/hpc/6446 What effect do explicit solvent molecules have on calculated optical rotation: D-(“+”)-Glyceraldehyde.

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