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ChemistryFunctions

Guides

  • Wolfram Chemistry Functions

Symbols

  • AtomSelector3D
  • AtomSelector
  • BohrModelPlot
  • ChemicalFormulaQ
  • ChemicalReactionQ
  • ConstitutionalIsomersQ
  • DiastereomersQ
  • EmbeddedMoleculeQ
  • EmpiricalFormula
  • EmptyMoleculeQ
  • EnantiomersQ
  • EpimersQ
  • FormatMoleculesAsGraphics
  • HydrocarbonQ
  • ImportComputationalChemistryData
  • IonCounts
  • MoleculeDelete
  • MoleculeGridPlot3D
  • MoleculeGridPlot
  • MoleculeJoin
  • MoleculeManipulate3D
  • MoleculeManipulate
  • MoleculeMirrorPlot3D
  • MoleculePatternQ
  • MoleculePlotOptions
  • MoleculeScaffold
  • MoleculeSubstructureMatches
  • PatternReactionQ
  • PeriodicTablePlot
  • RandomMolecule
  • RingMoleculeQ
  • RingPattern
  • SmilesPlot
  • StereoisomersQ
WolframChemistry`ChemistryFunctions`
DiastereomersQ
​
DiastereomersQ
[
m
1
,
m
2
]
returns
True
if
m2
is a diastereomer of
m1
.
​
Details and Options

Examples  
(2)
Basic Examples  
(2)
Compare the isomers of 1,3-dimethyl-cyclopentane:
In[1]:=
DiastereomersQ
[Molecule["trans-1,3-Dimethyl-cyclopentane"],Molecule["cis-1,3-Dimethyl-cyclopentane"]]
Out[1]=
True
​
The molecular graph, containing the atomic centers and connectivity, must be equal in diastereomers:
In[1]:=
{mol1,mol2}={Molecule["(2R,3R)-2-Amino-3-hydroxybutanoic acid"],Molecule["(2R,3S)-2-Amino-3-hydroxybutanoic acid"]}
Out[1]=
Molecule
Formula:
C
4
H
9
N
O
3
Atoms: 17 Bonds: 16
,Molecule
Formula:
C
4
H
9
N
O
3
Atoms: 17 Bonds: 16

In[2]:=
DiastereomersQ
[mol1,mol2]
Out[2]=
True
In[3]:=
DiastereomersQ
mol2,Molecule
Formula:
C
3
H
8
Atoms:
11
Bonds:
10

Out[3]=
False
SeeAlso
EnantiomersQ
 
▪
DiastereomersQ
 
▪
MoleculeMatchQ
RelatedGuides
▪
Wolfram Chemistry Functions
""

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