General Information of the Compound
| Compound ID |
CP0528060
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| Compound Name |
tert-butyl (E)-3-hydroxy-7-[[(E)-5-hydroxy-7-[(2-methylpropan-2-yl)oxy]-7-oxohept-3-enyl]disulfanyl]hept-4-enoate
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| Structure |
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| Formula |
C22H38O6S2
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| Molecular Weight |
462.674
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| Canonical SMILES |
CC(C)(C)OC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C22H38O6S2/c1-21(2,3)27-19(25)15-17(23)11-7-9-13-29-30-14-10-8-12-18(24)16-20(26)28-22(4,5)6/h7-8,11-12,17-18,23-24H,9-10,13-16H2,1-6H3/b11-7+,12-8+
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| InChIKey |
ZOTJPWIOCKAMRG-MKICQXMISA-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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