HN0
Summary
| Name: | 2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate) |
| Formula: | C19 H30 N5 O9 P |
| Formal charge: | 0 |
| Formula weight: | 503.443 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,5R)-3-oxidanyl-5-[6-oxidanylidene-2-[[(2S,3S,5R)-5-oxidanyl-2-pentyl-oxolan-3-yl]amino]-1H-purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC4OC(n1c2N=C(NC(=O)c2nc1)NC3C(OC(O)C3)CCCCC)CC4O |
| InChI | InChI | 1.03 | InChI=1S/C19H30N5O9P/c1-2-3-4-5-12-10(6-15(26)33-12)21-19-22-17-16(18(27)23-19)20-9-24(17)14-7-11(25)13(32-14)8-31-34(28,29)30/h9-15,25-26H,2-8H2,1H3,(H2,28,29,30)(H2,21,22,23,27)/t10-,11-,12-,13+,14+,15+/m0/s1 |
| InChIKey | InChI | 1.03 | ITRPVFNWIAAYPZ-PKCACUDHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCC[C@@H]1O[C@@H](O)C[C@@H]1NC2=Nc3n(cnc3C(=O)N2)[C@H]4C[C@H](O)[C@@H](CO[P](O)(O)=O)O4 |
| SMILES | CACTVS | 3.370 | CCCCC[CH]1O[CH](O)C[CH]1NC2=Nc3n(cnc3C(=O)N2)[CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCC[C@H]1[C@H](C[C@@H](O1)O)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCC1C(CC(O1)O)NC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)O)O)C(=O)N2 |
