Structure Database (LMSD)

Common Name
2-trans,6-cis,10-trans-geranylgeranyl diphosphate
Systematic Name
(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate
Synonyms
LM ID
LMPR0104010013
Status
Active
Exact Mass
Calculate m/z
450.193631
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)
OINNEUNVOZHBOX-GJCDQOAASA-N
InChi (Click to copy)
InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13-,20-15+
SMILES (Click to copy)
C/C(/CC/C=C(\C)/CC/C=C(\C)/C)=C/CC/C(/C)=C/COP(O)(=O)OP(O)(O)=O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 445.19
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 7.15
Molar Refractivity 117.39

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Created at
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Updated at
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