Structure Database (LMSD)

Common Name
2R-hydroxy-octanoic acid
Systematic Name
2R-hydroxy-octanoic acid
Synonyms
  • Octanoic acid, 2-hydroxy-, (R)-
  • Octanoic acid, 2-hydroxy-, D-
  • (R)-alpha-Hydroxycaprylic acid
  • (R)-2-Hydroxycaprylic acid
  • (R)-2-Hydroxyoctanoic acid
  • 2-Hydroxy-D-octanoic acid
  • D-2-Hydroxyoctanoic acid
LM ID
LMFA01050313
Formula
C8H16O3
Exact Mass
Calculate m/z
160.109945
Sum Composition
FA 8:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

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

Other Databases

LIPIDAT ID
4873
HMDB ID
HMDB0002264
CHEBI ID
173697
PubChem CID
5312860

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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Updated at
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