Derivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
XANTHOPTERIN,2TMS,isomer #1 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)[NH]2)[NH]1 | 2001.0 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #1 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)[NH]2)[NH]1 | 2327.0 | Standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #1 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)[NH]2)[NH]1 | 3376.1 | Standard polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #2 | C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1[NH]C(=O)C=N2 | 2058.7 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #2 | C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1[NH]C(=O)C=N2 | 2234.2 | Standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #2 | C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1[NH]C(=O)C=N2 | 3345.7 | Standard polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #3 | C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C)C(=O)C=N2 | 2113.1 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #3 | C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C)C(=O)C=N2 | 2237.8 | Standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #3 | C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C)C(=O)C=N2 | 3285.5 | Standard polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #4 | C[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C)[NH]1 | 2053.8 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #4 | C[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C)[NH]1 | 2360.9 | Standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #4 | C[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C)[NH]1 | 3111.1 | Standard polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #5 | C[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C | 2081.6 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #5 | C[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C | 2341.8 | Standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #5 | C[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C | 3210.2 | Standard polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #6 | C[Si](C)(C)N1C(=N)N=C(O)C2=C1N=CC(=O)N2[Si](C)(C)C | 2133.4 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #6 | C[Si](C)(C)N1C(=N)N=C(O)C2=C1N=CC(=O)N2[Si](C)(C)C | 2278.2 | Standard non polar | 33892256 |
XANTHOPTERIN,2TMS,isomer #6 | C[Si](C)(C)N1C(=N)N=C(O)C2=C1N=CC(=O)N2[Si](C)(C)C | 3074.6 | Standard polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #1 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C)[NH]1 | 2075.0 | Semi standard non polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #1 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C)[NH]1 | 2345.5 | Standard non polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #1 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C)[NH]1 | 3014.3 | Standard polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #2 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C | 2066.3 | Semi standard non polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #2 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C | 2293.1 | Standard non polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #2 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C | 3068.0 | Standard polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #3 | C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N([Si](C)(C)C)C(=O)C=N2 | 2144.6 | Semi standard non polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #3 | C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N([Si](C)(C)C)C(=O)C=N2 | 2273.5 | Standard non polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #3 | C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N([Si](C)(C)C)C(=O)C=N2 | 3041.5 | Standard polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #4 | C[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C)N1[Si](C)(C)C | 2130.7 | Semi standard non polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #4 | C[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C)N1[Si](C)(C)C | 2365.4 | Standard non polar | 33892256 |
XANTHOPTERIN,3TMS,isomer #4 | C[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C)N1[Si](C)(C)C | 2806.1 | Standard polar | 33892256 |
XANTHOPTERIN,4TMS,isomer #1 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C)N1[Si](C)(C)C | 2208.6 | Semi standard non polar | 33892256 |
XANTHOPTERIN,4TMS,isomer #1 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C)N1[Si](C)(C)C | 2345.7 | Standard non polar | 33892256 |
XANTHOPTERIN,4TMS,isomer #1 | C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C)N1[Si](C)(C)C | 2731.1 | Standard polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)[NH]2)[NH]1 | 2402.8 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)[NH]2)[NH]1 | 2680.3 | Standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)[NH]2)[NH]1 | 3401.3 | Standard polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1[NH]C(=O)C=N2 | 2453.7 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1[NH]C(=O)C=N2 | 2613.5 | Standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1[NH]C(=O)C=N2 | 3341.0 | Standard polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C(C)(C)C)C(=O)C=N2 | 2514.8 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C(C)(C)C)C(=O)C=N2 | 2650.1 | Standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=NC(=N)[NH]C2=C1N([Si](C)(C)C(C)(C)C)C(=O)C=N2 | 3358.3 | Standard polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)[NH]1 | 2514.9 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)[NH]1 | 2743.9 | Standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)[NH]1 | 3120.2 | Standard polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C(C)(C)C | 2503.0 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C(C)(C)C | 2716.8 | Standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C(C)(C)C | 3151.1 | Standard polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)N1C(=N)N=C(O)C2=C1N=CC(=O)N2[Si](C)(C)C(C)(C)C | 2584.2 | Semi standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)N1C(=N)N=C(O)C2=C1N=CC(=O)N2[Si](C)(C)C(C)(C)C | 2668.9 | Standard non polar | 33892256 |
XANTHOPTERIN,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)N1C(=N)N=C(O)C2=C1N=CC(=O)N2[Si](C)(C)C(C)(C)C | 3036.5 | Standard polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)[NH]1 | 2622.0 | Semi standard non polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)[NH]1 | 2880.8 | Standard non polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)[NH]1 | 3146.5 | Standard polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C(C)(C)C | 2614.6 | Semi standard non polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C(C)(C)C | 2849.5 | Standard non polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)[NH]2)N1[Si](C)(C)C(C)(C)C | 3133.9 | Standard polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N([Si](C)(C)C(C)(C)C)C(=O)C=N2 | 2721.0 | Semi standard non polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N([Si](C)(C)C(C)(C)C)C(=O)C=N2 | 2846.1 | Standard non polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N([Si](C)(C)C(C)(C)C)C(=O)C=N2 | 3141.5 | Standard polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | 2717.0 | Semi standard non polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | 2944.5 | Standard non polar | 33892256 |
XANTHOPTERIN,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N=C1N=C(O)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | 2940.5 | Standard polar | 33892256 |
XANTHOPTERIN,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | 2888.0 | Semi standard non polar | 33892256 |
XANTHOPTERIN,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | 3055.1 | Standard non polar | 33892256 |
XANTHOPTERIN,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(N=CC(=O)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | 3011.8 | Standard polar | 33892256 |