A1JE1
Summary
| Name: | (1~{S},2~{S},3~{S},4~{R},5~{R})-2-azanyl-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol |
| Formula: | C10 H18 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 230.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S},3~{S},4~{R},5~{R})-2-azanyl-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H18N2O4/c11-7-6-5-15-10(16-6)8(9(7)13)12-1-3-14-4-2-12/h6-10,13H,1-5,11H2 |
| InChIKey | InChI | 1.06 | JBSAPHFJJWTFLL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1[C@H](O)[C@H]([C@H]2OC[C@@H]1O2)N3CCOCC3 |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)[CH]([CH]2OC[CH]1O2)N3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1COCCN1[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1COCCN1C2C(C(C3COC2O3)N)O |
