Structure Database (LMSD)

Common Name
(S)-3-hydroxyoctanoic acid
Systematic Name
3S-hydroxyoctanoic acid
Synonyms
LM ID
LMFA01050433
Formula
Exact Mass
Calculate m/z
160.109945
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
NDPLAKGOSZHTPH-ZETCQYMHSA-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-/m0/s1
SMILES (Click to copy)
CCCCC[C@H](O)CC(O)=O

References

Other Databases

CHEBI ID
PubChem CID
PDB ID
GuidePharm ID

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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