A1H2O
Summary
| Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-5-methoxy-6-[[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]methyl]oxan-3-ol |
| Formula: | C23 H25 Cl F2 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 526.918 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-5-methoxy-6-[[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]methyl]oxan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H25ClF2N4O6/c1-23(9-34-10-23)17-6-11(36-28-17)5-15-22(33-2)20(21(32)16(8-31)35-15)30-7-14(27-29-30)12-3-4-13(24)19(26)18(12)25/h3-4,6-7,15-16,20-22,31-32H,5,8-10H2,1-2H3/t15-,16-,20+,21+,22+/m1/s1 |
| InChIKey | InChI | 1.06 | WTCIDOBGJUDIAX-IVZPRWNWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1[C@@H](Cc2onc(c2)C3(C)COC3)O[C@H](CO)[C@H](O)[C@@H]1n4cc(nn4)c5ccc(Cl)c(F)c5F |
| SMILES | CACTVS | 3.385 | CO[CH]1[CH](Cc2onc(c2)C3(C)COC3)O[CH](CO)[CH](O)[CH]1n4cc(nn4)c5ccc(Cl)c(F)c5F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(COC1)c2cc(on2)C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5ccc(c(c5F)F)Cl)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(COC1)c2cc(on2)CC3C(C(C(C(O3)CO)O)n4cc(nn4)c5ccc(c(c5F)F)Cl)OC |
