A1LXK
Summary
| Name: | [(2~{R},3~{S},5~{S})-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2,3,5-tris(oxidanyl)pentyl] dihydrogen phosphate |
| Formula: | C10 H16 N5 O9 P |
| Formal charge: | 0 |
| Formula weight: | 381.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},5~{S})-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2,3,5-tris(oxidanyl)pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H16N5O9P/c11-9-13-7-6(8(19)14-9)12-10(20)15(7)5(18)1-3(16)4(17)2-24-25(21,22)23/h3-5,16-18H,1-2H2,(H,12,20)(H2,21,22,23)(H3,11,13,14,19)/t3-,4+,5-/m0/s1 |
| InChIKey | InChI | 1.06 | RDUREGGLHYLIPW-LMVFSUKVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC2=C(NC(=O)N2[C@@H](O)C[C@H](O)[C@H](O)CO[P](O)(O)=O)C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=NC2=C(NC(=O)N2[CH](O)C[CH](O)[CH](O)CO[P](O)(O)=O)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]([C@@H](COP(=O)(O)O)O)O)[C@@H](N1C2=C(C(=O)NC(=N2)N)NC1=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(COP(=O)(O)O)O)O)C(N1C2=C(C(=O)NC(=N2)N)NC1=O)O |
