Structure Database (LMSD)

Common Name
Turpetholic acid B
Systematic Name
4,12-dihydroxy-pentadecanoic acid
Synonyms
LM ID
LMFA01050186
Formula
Exact Mass
Calculate m/z
274.21441
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
QGZOSDDYSABQFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O4/c1-2-8-13(16)9-6-4-3-5-7-10-14(17)11-12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCC(O)CCCCCCCC(O)CCC)(=O)O

References

Other Databases

LIPIDAT ID
3103
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 300.58
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.68
Molar Refractivity 77.13

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Created at
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Updated at
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