General Information of the Compound
| Compound ID |
CP0536559
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| Compound Name |
2-[(2S,3S,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]ethyl dihydrogen phosphate
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| Structure |
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| Formula |
C8H19O15P3
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| Molecular Weight |
448.147
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| Canonical SMILES |
OC[C@H]1O[C@@H](CCOP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
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| InChI |
InChI=1S/C8H19O15P3/c9-3-5-7(22-25(14,15)16)8(23-26(17,18)19)6(10)4(21-5)1-2-20-24(11,12)13/h4-10H,1-3H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/t4-,5+,6-,7+,8+/m0/s1
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| InChIKey |
UYDQUDLNEPVDDF-BZCSJUTBSA-N
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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