1AP
Summary
| Name: | 2,6-DIAMINOPURINE NUCLEOTIDE |
| Formula: | C10 H15 N6 O6 P |
| Formal charge: | 0 |
| Formula weight: | 346.236 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-2'-deoxyadenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)N)N)CC3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c2n1 |
| SMILES | CACTVS | 3.341 | Nc1nc(N)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(nc(nc2n1C3CC(C(O3)COP(=O)(O)O)O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C10H15N6O6P/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(17)5(22-6)2-21-23(18,19)20/h3-6,17H,1-2H2,(H2,18,19,20)(H4,11,12,14,15)/t4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | RZZBUMCFKOLHEH-KVQBGUIXSA-N |
