Structure Database (LMSD)

Common Name
Lanoceric acid
Systematic Name
8,23-dihydroxytriacontanoic acid
Synonyms
LM ID
LMFA01050534
Formula
Exact Mass
Calculate m/z
484.44916
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
QGUHQIPBVVVKMJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60O4/c1-2-3-4-13-18-23-28(31)24-19-14-11-9-7-5-6-8-10-12-15-20-25-29(32)26-21-16-17-22-27-30(33)34/h28-29,31-32H,2-27H2,1H3,(H,33,34)
SMILES (Click to copy)
C(CCCCCCC(O)CCCCCCCCCCCCCCC(O)CCCCCCC)(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 560.08
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 9.53
Molar Refractivity 146.39

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Created at
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Updated at
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