Structure Database (LMSD)

Common Name
2-Hydroxyadipic acid
Systematic Name
2-hydroxy-Hexanedioic acid
Synonyms
LM ID
LMFA01170049
Status
Active
Exact Mass
Calculate m/z
162.052825
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
OTTXIFWBPRRYOG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
SMILES (Click to copy)
C(C(O)CCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
4736
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 151.03
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP -0.03
Molar Refractivity 35.64

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Created at
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Updated at
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