General Information of the Compound
| Compound ID |
CP0416704
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| Compound Name |
trisodium;[[(E)-4-hydroxy-3-methylbut-2-enoxy]-oxidophosphoryl] phosphate
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| Structure |
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| Formula |
C5H9Na3O8P2
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| Molecular Weight |
328.037
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| Canonical SMILES |
[Na+].[Na+].[Na+].C\C(CO)=C/COP([O-])(=O)OP([O-])([O-])=O
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| InChI |
InChI=1S/C5H12O8P2.3Na/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9;;;/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9);;;/q;3*+1/p-3/b5-2+;;;
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| InChIKey |
JHBJAJWTPWXGJI-JZWSQSCTSA-K
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound