9PP
Summary
| Name: | 2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE |
| Formula: | C9 H13 N6 O4 P |
| Formal charge: | -2 |
| Formula weight: | 300.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {[(1S)-2-(2,6-diamino-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonate |
| OpenEye OEToolkits | 1.5.0 | 9-[(2S)-2-(phosphonatomethoxy)propyl]purine-2,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]P([O-])(=O)COC(C)Cn1c2nc(nc(c2nc1)N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](Cn1cnc2c(N)nc(N)nc12)OC[P]([O-])([O-])=O |
| SMILES | CACTVS | 3.341 | C[CH](Cn1cnc2c(N)nc(N)nc12)OC[P]([O-])([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-] |
| InChI | InChI | 1.03 | InChI=1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H4,10,11,13,14)/p-2/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | LWEKFDHXJHJYGB-YFKPBYRVSA-L |
