A1H50
Summary
| Name: | [(2~{R},3~{S},4~{R},5~{S})-5-[(1-ethyl-1,2,3-triazol-4-yl)methoxy]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ethanesulfonate |
| Formula: | C10 H17 N3 O7 S |
| Formal charge: | 0 |
| Formula weight: | 323.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-(1~{H}-1,2,3-triazol-4-ylmethoxy)oxolan-2-yl]methyl ethanesulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H17N3O7S/c1-2-21(16,17)19-5-7-8(14)9(15)10(20-7)18-4-6-3-11-13-12-6/h3,7-10,14-15H,2,4-5H2,1H3,(H,11,12,13)/t7-,8-,9-,10+/m1/s1 |
| InChIKey | InChI | 1.06 | MKGDPUOOZXDTHC-KYXWUPHJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)OC[C@H]1O[C@H](OCc2c[nH]nn2)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)OC[CH]1O[CH](OCc2c[nH]nn2)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@H](O1)OCc2c[nH]nn2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)OCC1C(C(C(O1)OCc2c[nH]nn2)O)O |
