IXK
Summary
| Name: | [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)furan-3-yl] [5-(6-aminopurin-9-yl)-3-oxidanyl-furan-2-yl]methyl hydrogen phosphate |
| Formula: | C20 H17 N10 O8 P |
| Formal charge: | 0 |
| Formula weight: | 556.385 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)furan-3-yl] [5-(6-aminopurin-9-yl)-3-oxidanyl-furan-2-yl]methyl hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H17N10O8P/c21-17-15-19(25-5-23-17)29(7-27-15)13-1-9(32)12(37-13)4-35-39(33,34)38-10-2-14(36-11(10)3-31)30-8-28-16-18(22)24-6-26-20(16)30/h1-2,5-8,31-32H,3-4H2,(H,33,34)(H2,21,23,25)(H2,22,24,26) |
| InChIKey | InChI | 1.06 | XKEWDTWLEZMIAN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(cnc12)c3oc(CO[P](O)(=O)Oc4cc(oc4CO)n5cnc6c(N)ncnc56)c(O)c3 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(cnc12)c3oc(CO[P](O)(=O)Oc4cc(oc4CO)n5cnc6c(N)ncnc56)c(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(oc1n2cnc3c2ncnc3N)COP(=O)(O)Oc4cc(oc4CO)n5cnc6c5ncnc6N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(oc1n2cnc3c2ncnc3N)COP(=O)(O)Oc4cc(oc4CO)n5cnc6c5ncnc6N)O |
