Structure Database (LMSD)

Common Name
3R-hydroxy-octanoic acid
Systematic Name
3R-hydroxy-octanoic acid
Synonyms
  • Octanoic acid, 3-hydroxy-, (R)-
  • R-3-Hydroxyoctanoic acid
LM ID
LMFA01050314
Status
Active
Exact Mass
Calculate m/z
160.109945
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
NDPLAKGOSZHTPH-SSDOTTSWSA-N
InChi (Click to copy)
InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
SMILES (Click to copy)
C(C[C@H](O)CCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4876
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 170.69
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 1.69
Molar Refractivity 42.91

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Created at
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Updated at
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