General Information of the Compound
| Compound ID |
CP0768756
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| Compound Name |
2-(acetoxymethyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate
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| Structure |
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| Formula |
C20H24O9S
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| Molecular Weight |
440.47
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| Canonical SMILES |
CC(=O)OCC1OC(Sc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
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| InChI |
InChI=1S/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3
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| InChIKey |
JCKOUAWEMPKIAT-UHFFFAOYSA-N
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| CAS |
23661-28-1
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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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