0AD
Summary
| Name: | 2'-deoxy-N-propylguanosine 5'-(dihydrogen phosphate) |
| Formula: | C13 H20 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 389.301 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-N-propylguanosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-3-hydroxy-5-(6-oxo-2-propylamino-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(NCCC)N1)C3OC(C(O)C3)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCNC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
| SMILES | CACTVS | 3.341 | CCCNC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCNC1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1 |
| InChI | InChI | 1.03 | InChI=1S/C13H20N5O7P/c1-2-3-14-13-16-11-10(12(20)17-13)15-6-18(11)9-4-7(19)8(25-9)5-24-26(21,22)23/h6-9,19H,2-5H2,1H3,(H2,21,22,23)(H2,14,16,17,20)/t7-,8+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | OWYUJGCLBCUIHH-DJLDLDEBSA-N |
