F73
Summary
| Name: | [(2R,3R)-3-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate |
| Formula: | C11 H17 N6 O7 P |
| Formal charge: | 0 |
| Formula weight: | 376.262 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R})-3-[2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H17N6O7P/c1-5(24-25(21,22)23)6(3-18)14-7(19)2-17-4-13-8-9(17)15-11(12)16-10(8)20/h4-6,18H,2-3H2,1H3,(H,14,19)(H2,21,22,23)(H3,12,15,16,20)/t5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | WFAAGLMOJNVWOI-PHDIDXHHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O[P](O)(O)=O)[C@@H](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N |
| SMILES | CACTVS | 3.385 | C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)OP(=O)(O)O |
