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ChemistryFunctions

Guides

  • Wolfram Chemistry Functions

Symbols

  • AlkaneName
  • AlkaneQ
  • 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
  • RandomAlkane
  • RandomMolecule
  • RingMoleculeQ
  • RingPattern
  • SmilesPlot
  • StereoisomersQ
WolframChemistry`ChemistryFunctions`
EpimersQ
​
EpimersQ
[
m
1
,
m
2
]
returns
True
if
m2
is a epimer of
m1
.
​
Details and Options

Examples  
(2)
Basic Examples  
(2)
Check if two steroid molecules are epimers:
In[1]:=
EpimersQ
[Molecule["(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"],Molecule["(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"]]
Out[1]=
True
​
The molecular graph, containing the atomic centers and connectivity, must be equal in enantiomers:
In[1]:=
{mol1,mol2}={Molecule["trans-1,2-dichlorocyclohexane"],Molecule["cis-1,2-dichlorocyclohexane"]}
Out[1]=
Molecule
Formula:
C
6
H
10
Cl
2
Atoms: 18 Bonds: 18
,Molecule
Formula:
C
6
H
10
Cl
2
Atoms: 18 Bonds: 18

In[2]:=
EpimersQ
[mol1,mol2]
Out[2]=
True
In[3]:=
EpimersQ
[mol2,Molecule["CCC"]]
Out[3]=
False
SeeAlso
StereochemistryElements
 
▪
StereoisomersQ
 
▪
EnantiomersQ
 
▪
DiastereomersQ
 
▪
ConstitutionalIsomersQ
RelatedGuides
▪
Wolfram Chemistry Functions
""

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