Structure Database (LMSD)

Common Name
9,16-dihydroxy-palmitic acid
Systematic Name
9,16-dihydroxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050340
Formula
Exact Mass
Calculate m/z
288.23006
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
XSIHTLJPWOWWPE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O4/c17-14-10-6-2-4-8-12-15(18)11-7-3-1-5-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCC(O)CCCCCCCO)(=O)O

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
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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