AVP
Summary
| Name: | ACYCLOVIR TRIPHOSPHATE |
| Formula: | C8 H14 N5 O12 P3 |
| Formal charge: | 0 |
| Formula weight: | 465.144 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(COCCO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)cnc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(COCCO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)cnc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1COCCO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1COCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H14N5O12P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-22-1-2-23-27(18,19)25-28(20,21)24-26(15,16)17/h3H,1-2,4H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,11,12,14) |
| InChIKey | InChI | 1.03 | AYWLSIKEOSXJLA-UHFFFAOYSA-N |
