A1H0Q
Summary
| Name: | 1-[[1-[(2S,3S,4R,5S,6R)-2-(2-chloroethyloxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methyl]guanidine |
| Formula: | C12 H21 Cl N6 O5 |
| Formal charge: | 0 |
| Formula weight: | 364.785 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(2-chloroethyloxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H21ClN6O5/c13-1-2-23-11-8(10(22)9(21)7(5-20)24-11)19-4-6(17-18-19)3-16-12(14)15/h4,7-11,20-22H,1-3,5H2,(H4,14,15,16)/t7-,8+,9-,10-,11+/m1/s1 |
| InChIKey | InChI | 1.06 | HOLDLWPLZAVQFV-QGKZMRNZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCc1cn(nn1)[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OCCCl |
| SMILES | CACTVS | 3.385 | NC(=N)NCc1cn(nn1)[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2OCCCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NCc1cn(nn1)[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OCCCl)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nnn1C2C(C(C(OC2OCCCl)CO)O)O)CNC(=N)N |
