R
Summary
| Name: | 2'-DEOXY-N6-(R)STYRENE OXIDE ADENOSINE MONOPHOSPHATE |
| Formula: | C18 H22 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 451.37 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-N-[(1R)-2-hydroxy-1-phenylethyl]adenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-3-hydroxy-5-[6-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NC(c3ccccc3)CO)CC4O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H](Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c4ccccc4 |
| SMILES | CACTVS | 3.341 | OC[CH](Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(CO)Nc2c3c(ncn2)n(cn3)C4CC(C(O4)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H22N5O7P/c24-7-12(11-4-2-1-3-5-11)22-17-16-18(20-9-19-17)23(10-21-16)15-6-13(25)14(30-15)8-29-31(26,27)28/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,22)(H2,26,27,28)/t12-,13-,14+,15+/m0/s1 |
| InChIKey | InChI | 1.03 | GPBCZRLFTIFYIP-BYNSBNAKSA-N |
