Structure Database (LMSD)

Common Name
Turpetholic acid C
Systematic Name
4,12-dihydroxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050189
Formula
Exact Mass
Calculate m/z
288.23006
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
QXNNRMXGPQQIRN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O4/c1-2-3-9-14(17)10-7-5-4-6-8-11-15(18)12-13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCC(O)CCCCCCCC(O)CCCC)(=O)O

References

Other Databases

LIPIDAT ID
2978
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 317.88
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 81.75

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Created at
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Updated at
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