Structure Database (LMSD)

Common Name
10-Deoxymethynolide
Systematic Name
Synonyms
LM ID
LMPK04000034
Status
Active
Exact Mass
Calculate m/z
296.19876
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)
NZUJVBSYQXETNF-PQWITYJESA-N
InChi (Click to copy)
InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1
SMILES (Click to copy)
[C@H]1([C@@H](C)C(=O)O[C@H](CC)[C@H](C)C=CC([C@H](C)C[C@@H]1C)=O)O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 317.54
Topological Polar Surface Area 65.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.32
Molar Refractivity 82.62

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Created at
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Updated at
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