Structure database (LMSD)

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LM IDLMFA01050313
Common Name2R-hydroxy-octanoic acid
Systematic Name2R-hydroxy-octanoic acid
SynonymsOctanoic acid, 2-hydroxy-, (R)-; Octanoic acid, 2-hydroxy-, D-; (R)-α-
Hydroxycaprylic acid; (R)-2-Hydroxycaprylic acid; (R)-2-Hydroxyoctanoic acid;
2-Hydroxy-D-octanoic acid; D-2-Hydroxyoctanoic acid
Exact Mass
160.1099 (neutral)    Calculate m/z:
FormulaC8H16O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
AbbrevFA 8:0;O
LIPIDAT ID4873
PubChem CID5312860
HMDB IDHMDB0002264
InChIKeyJKRDADVRIYVCCY-SSDOTTSWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
C([C@H](O)CCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
170.69Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.69Molar
Refractivity
42.91