Structure Database (LMSD)

Common Name
Cannabidiolic acid
Systematic Name
Synonyms
LM ID
LMPK13120003
Status
Active
Exact Mass
Calculate m/z
358.21441
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WVOLTBSCXRRQFR-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1
SMILES (Click to copy)
[C@]1([H])([C@H](C(=C)C)CCC(C)=C1)C1C(O)=C(C(O)=O)C(CCCCC)=CC=1O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings 1
Rotatable Bonds 7
Van der Waals Molecular Volume 372.86
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.54
Molar Refractivity 104.00

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Created at
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Updated at
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