Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredictor | Adduct Type | CCS Value (Å2) | Reference |
---|
DeepCCS | [M+H]+ | 139.831 | 30932474 | DeepCCS | [M-H]- | 137.513 | 30932474 | DeepCCS | [M-2H]- | 173.187 | 30932474 | DeepCCS | [M+Na]+ | 148.308 | 30932474 |
Predicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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(2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one | OCC(O)C(O)C(=O)C(O)CS | 3414.7 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one | OCC(O)C(O)C(=O)C(O)CS | 1657.9 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one | OCC(O)C(O)C(=O)C(O)CS | 1728.4 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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(2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #1 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2023.3 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #1 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2066.2 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #1 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2002.1 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #10 | C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C)C(CO)O[Si](C)(C)C | 2019.0 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #10 | C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C)C(CO)O[Si](C)(C)C | 2076.8 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #10 | C[Si](C)(C)OC(=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C)C(CO)O[Si](C)(C)C | 2073.2 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #11 | C[Si](C)(C)OC(CS[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C | 2061.1 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #11 | C[Si](C)(C)OC(CS[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C | 2044.0 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #11 | C[Si](C)(C)OC(CS[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C | 2098.7 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #2 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CS)O[Si](C)(C)C | 1973.0 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #2 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CS)O[Si](C)(C)C | 2041.5 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #2 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CS)O[Si](C)(C)C | 2158.1 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #3 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CS)O[Si](C)(C)C | 1941.4 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #3 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CS)O[Si](C)(C)C | 2057.3 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #3 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CS)O[Si](C)(C)C | 2156.4 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #4 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)CS[Si](C)(C)C | 2088.7 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #4 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)CS[Si](C)(C)C | 2094.7 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #4 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)CS[Si](C)(C)C | 2120.0 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #5 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CS[Si](C)(C)C | 1990.2 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #5 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CS[Si](C)(C)C | 2077.2 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #5 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)CS[Si](C)(C)C | 2087.3 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #6 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(CS[Si](C)(C)C)O[Si](C)(C)C | 2064.8 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #6 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(CS[Si](C)(C)C)O[Si](C)(C)C | 2053.0 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #6 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)=C(CS[Si](C)(C)C)O[Si](C)(C)C | 2105.8 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #7 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2053.7 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #7 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2108.0 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #7 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2126.1 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #8 | C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CS[Si](C)(C)C)O[Si](C)(C)C | 2055.2 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #8 | C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CS[Si](C)(C)C)O[Si](C)(C)C | 2048.0 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #8 | C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CS[Si](C)(C)C)O[Si](C)(C)C | 2079.6 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #9 | C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C | 1997.5 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #9 | C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2074.8 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TMS,isomer #9 | C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2073.3 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TMS,isomer #1 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CS[Si](C)(C)C)O[Si](C)(C)C | 2103.4 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TMS,isomer #1 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CS[Si](C)(C)C)O[Si](C)(C)C | 2109.7 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TMS,isomer #1 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CS[Si](C)(C)C)O[Si](C)(C)C | 2026.6 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TMS,isomer #2 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2055.5 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TMS,isomer #2 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2138.3 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TMS,isomer #2 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CS[Si](C)(C)C)O[Si](C)(C)C | 2025.4 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3114.4 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2939.5 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2580.6 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C | 3142.0 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C | 2930.8 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C | 2615.6 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC(CS[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C | 3158.8 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC(CS[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C | 2852.8 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC(CS[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C | 2632.5 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CS)O[Si](C)(C)C(C)(C)C | 3081.3 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CS)O[Si](C)(C)C(C)(C)C | 2912.5 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CS)O[Si](C)(C)C(C)(C)C | 2693.8 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CS)O[Si](C)(C)C(C)(C)C | 3057.3 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CS)O[Si](C)(C)C(C)(C)C | 2962.6 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CS)O[Si](C)(C)C(C)(C)C | 2693.6 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O)CS[Si](C)(C)C(C)(C)C | 3192.0 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O)CS[Si](C)(C)C(C)(C)C | 2963.2 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O)CS[Si](C)(C)C(C)(C)C | 2655.5 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)CS[Si](C)(C)C(C)(C)C | 3146.6 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)CS[Si](C)(C)C(C)(C)C | 2957.0 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)CS[Si](C)(C)C(C)(C)C | 2630.7 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)=C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3193.2 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)=C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2875.2 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)=C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2645.4 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3160.2 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2996.3 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2661.2 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3196.7 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2865.1 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2630.1 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3162.8 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2940.1 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,5TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2623.5 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3363.3 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3047.0 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2700.3 | Standard polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3328.1 | Semi standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3136.6 | Standard non polar | 33892256 | (2R,4R,5R)-2,4,5,6-Tetrahydroxy-1-sulfanylhexan-3-one,6TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2697.8 | Standard polar | 33892256 |
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