Structure Database (LMSD)

Common Name
4,4'-Diapolycopene
Systematic Name
Synonyms
LM ID
LMPR01070143
Status
Active
Exact Mass
Calculate m/z
400.313
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)
HGWBSMBLLOMJGT-DADBORHESA-N
InChi (Click to copy)
InChI=1S/C30H40/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-24H,1-8H3/b10-9+,19-11+,20-12+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+
SMILES (Click to copy)
C/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID
Carotenoid ID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 498.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.48
Molar Refractivity 139.59

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Created at
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Updated at
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