8AZ
Summary
| Name: | 8-aza-nebularine-5'-monophosphate |
| Formula: | C9 H14 N5 O8 P |
| Formal charge: | 0 |
| Formula weight: | 351.21 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[(7~{R})-7-oxidanyl-6,7-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H14N5O8P/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-7-4(12-13-14)8(17)11-2-10-7/h2-3,5-6,8-9,15-17H,1H2,(H,10,11)(H2,18,19,20)/t3-,5-,6-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | SBZIEWBNPJQPBV-TWZMMTIKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1NC=Nc2n(nnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | O[CH]1NC=Nc2n(nnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1=Nc2c(nnn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)[C@H](N1)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1=Nc2c(nnn2C3C(C(C(O3)COP(=O)(O)O)O)O)C(N1)O |
