F6G
Summary
| Name: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one |
| Formula: | C8 H17 N4 O13 P3 |
| Formal charge: | 0 |
| Formula weight: | 470.161 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one |
| OpenEye OEToolkits | 2.0.6 | [[(2~{R},3~{S},5~{R})-5-(6-azanyl-2-oxidanylidene-1,4-dihydro-1,3,5-triazin-3-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(NC(N)=NCN1C2OC(C(C2)O)COP(O)(=O)OP(O)(OP(O)(O)=O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H17N4O13P3/c9-7-10-3-12(8(14)11-7)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h4-6,13H,1-3H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,10,11,14)/t4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | YEGZZVDXUFGWTE-KVQBGUIXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NCN([C@H]2C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=NCN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(OC1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
