A1C8Z
Summary
| Name: | [(2~{R},3~{R})-4-(2-azanyl-4-oxidanylidene-5,8-dihydro-3~{H}-pteridin-6-yl)-2,3-bis(oxidanyl)butoxy]-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid |
| Formula: | C11 H20 N5 O12 P3 |
| Formal charge: | 0 |
| Formula weight: | 507.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{R},3~{R})-4-(2-azanyl-4-oxidanylidene-5,8-dihydro-3~{H}-pteridin-6-yl)-2,3-bis(oxidanyl)butoxy]-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H20N5O12P3/c12-11-15-9-8(10(19)16-11)14-5(2-13-9)1-6(17)7(18)3-27-29(20,21)4-30(22,23)28-31(24,25)26/h2,6-7,14,17-18H,1,3-4H2,(H,20,21)(H,22,23)(H2,24,25,26)(H4,12,13,15,16,19)/t6-,7-/m1/s1 |
| InChIKey | InChI | 1.06 | QDDUHXIFMHXCPH-RNFRBKRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC2=C(NC(=CN2)C[C@@H](O)[C@H](O)CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=NC2=C(NC(=CN2)C[CH](O)[CH](O)CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1=C(NC2=C(N1)N=C(NC2=O)N)C[C@H]([C@@H](COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1=C(NC2=C(N1)N=C(NC2=O)N)CC(C(COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O |
