Structure Database (LMSD)

Common Name
3S-hydroxy-decanoic acid
Systematic Name
3S-hydroxy-decanoic acid
Synonyms
  • Decanoic acid, 3-hydroxy-, (S)-
  • Decanoic acid, 3-hydroxy-, L-
  • L-beta-Hydroxydecanoic acid
  • S-3-Hydroxydecanoic acid
LM ID
LMFA01050246
Status
Active
Exact Mass
Calculate m/z
188.141245
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)
FYSSBMZUBSBFJL-VIFPVBQESA-N
InChi (Click to copy)
InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
SMILES (Click to copy)
C(C[C@@H](O)CCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
4537
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 205.29
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.47
Molar Refractivity 52.15

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Created at
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Updated at
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