4DG
Summary
| Name: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate |
| Synonyms: | acyclic guanosine monophosphate acyclovir monophosphate |
| Formula: | C8 H12 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 305.185 Da |
| Component type: | DNA OH 3 prime terminus |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-[(2-azanyl-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | NC1=Nc2n(COCCO[P](O)(O)=O)cnc2C(=O)N1 |
| SMILES | CACTVS | 3.352 | NC1=Nc2n(COCCO[P](O)(O)=O)cnc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14) |
| InChIKey | InChI | 1.03 | KUOAJOVOKFATQE-UHFFFAOYSA-N |
