RI00003626 | Cyclic AMP,2TMS,isomer#3 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(=O)(O[Si](C)(C)C)O[C@H]2[C@H]1O | TMS | 473.1316 | Standard polar | 4395.595 |
RI00003627 | Cyclic AMP,2TMS,isomer#4 | JsmolC[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O)[Si](C)(C)C | TMS | 473.1316 | Standard polar | 4681.031 |
RI00003628 | Cyclic AMP,3TMS,isomer#1 | JsmolC[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(=O)(O[Si](C)(C)C)O[C@H]2[C@H]1O[Si](C)(C)C | TMS | 545.1711 | Standard polar | 4090.2512 |
RI00003629 | Cyclic AMP,3TMS,isomer#2 | JsmolC[Si](C)(C)O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | TMS | 545.1711 | Standard polar | 4241.8687 |
RI00003630 | Cyclic AMP,3TMS,isomer#3 | JsmolC[Si](C)(C)OP1(=O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O1 | TMS | 545.1711 | Standard polar | 3910.7275 |
RI00003631 | Cyclic AMP,4TMS,isomer#1 | JsmolC[Si](C)(C)O[C@@H]1[C@@H]2OP(=O)(O[Si](C)(C)C)OC[C@H]2O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | TMS | 617.2106 | Standard polar | 3631.6382 |
RI00003632 | Cyclic AMP,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP(=O)(O[Si](C)(C)C(C)(C)C)OC[C@H]2O[C@H]1N1C=NC2=C(N)N=CN=C21 | TBDMS | 557.2255 | Standard polar | 4649.382 |
RI00003633 | Cyclic AMP,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 557.2255 | Standard polar | 4756.312 |
RI00003634 | Cyclic AMP,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@H]2[C@H]1O | TBDMS | 557.2255 | Standard polar | 4501.1953 |
RI00003635 | Cyclic AMP,2TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O)[Si](C)(C)C(C)(C)C | TBDMS | 557.2255 | Standard polar | 4594.636 |
RI00003636 | Cyclic AMP,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(=O)(O[Si](C)(C)C(C)(C)C)O[C@H]2[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 671.312 | Standard polar | 4284.661 |
RI00003637 | Cyclic AMP,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21 | TBDMS | 671.312 | Standard polar | 4298.433 |
RI00003638 | Cyclic AMP,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OP1(=O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O1 | TBDMS | 671.312 | Standard polar | 4062.793 |
RI00003639 | Cyclic AMP,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP(=O)(O[Si](C)(C)C(C)(C)C)OC[C@H]2O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21 | TBDMS | 785.3984 | Standard polar | 3893.791 |
RI00003640 | Acetoacetic acid,1TMS,isomer#1 | JsmolCC(=O)CC(=O)O[Si](C)(C)C | TMS | 174.0712 | Semi standard non polar | 1039.7006 |
RI00003641 | Acetoacetic acid,1TMS,isomer#2 | JsmolCC(=CC(=O)O)O[Si](C)(C)C | TMS | 174.0712 | Semi standard non polar | 1168.517 |
RI00003642 | Acetoacetic acid,1TMS,isomer#3 | JsmolC=C(CC(=O)O)O[Si](C)(C)C | TMS | 174.0712 | Semi standard non polar | 1143.1338 |
RI00003643 | Acetoacetic acid,1TBDMS,isomer#1 | JsmolCC(=O)CC(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 216.1182 | Semi standard non polar | 1255.9972 |
RI00003644 | Acetoacetic acid,1TBDMS,isomer#2 | JsmolCC(=CC(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 216.1182 | Semi standard non polar | 1395.9564 |
RI00003645 | Acetoacetic acid,1TBDMS,isomer#3 | JsmolC=C(CC(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 216.1182 | Semi standard non polar | 1350.448 |
RI00003646 | Acetoacetic acid | JsmolCC(=O)CC(O)=O | Underivatized | 102.0317 | Standard polar | 1962.0698 |
RI00003647 | Acetoacetic acid,2TMS,isomer#1 | JsmolCC(=CC(=O)O[Si](C)(C)C)O[Si](C)(C)C | TMS | 246.1107 | Standard non polar | 1195.5479 |
RI00003648 | Acetoacetic acid,2TMS,isomer#2 | JsmolC=C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C | TMS | 246.1107 | Standard non polar | 1207.8975 |
RI00003649 | Acetoacetic acid,2TBDMS,isomer#1 | JsmolCC(=CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 330.2046 | Standard non polar | 1637.316 |
RI00003650 | Acetoacetic acid,2TBDMS,isomer#2 | JsmolC=C(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 330.2046 | Standard non polar | 1620.4005 |