Structure Database (LMSD)

Common Name
3,4-dihydroxy-4-methylhexadecanoic acid
Systematic Name
2,5-dideoxy-4-C-dodecylpentonic acid
Synonyms
  • 3,4-dihydroxy-4-methylpalmitic acid
LM ID
LMFA01050488
Formula
Exact Mass
Calculate m/z
302.24571
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
NACNPFXTZNCJJY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-17(2,21)15(18)14-16(19)20/h15,18,21H,3-14H2,1-2H3,(H,19,20)
SMILES (Click to copy)
C(=O)(O)CC(O)C(C)(O)CCCCCCCCCCCC

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 335.18
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.46
Molar Refractivity 86.37

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Created at
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Updated at
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