Structure Database (LMSD)

Common Name
3-Acetoxy-palmitic acid
Systematic Name
3-Acetoxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050550
Formula
Exact Mass
Calculate m/z
314.24571
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
YGOMZEGUVXYKIH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(15-18(20)21)22-16(2)19/h17H,3-15H2,1-2H3,(H,20,21)
SMILES (Click to copy)
C(CC(OC(=O)C)CCCCCCCCCCCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 349.84
Topological Polar Surface Area 63.6
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.38
Molar Refractivity 89.4

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Created at
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Updated at
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