9C2
Summary
| Name: | [(2~{R},3~{R},4~{S})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate |
| Formula: | C5 H13 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 260.139 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{R},4~{S})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H13N2O8P/c6-7-5(11)4(10)3(9)2(8)1-15-16(12,13)14/h2-4,8-10H,1,6H2,(H,7,11)(H2,12,13,14)/t2-,3-,4+/m1/s1 |
| InChIKey | InChI | 1.03 | ZPAONOPLWIBTOD-JJYYJPOSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NNC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | NNC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@H]([C@H]([C@@H](C(=O)NN)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(C(C(=O)NN)O)O)O)OP(=O)(O)O |
