TM9
Summary
| Name: | (2R,3R,4S,5R,6R)-3-azanyl-6-[bis(oxidanyl)methyl]oxane-2,4,5-triol |
| Formula: | C6 H13 N O6 |
| Formal charge: | 0 |
| Formula weight: | 195.171 Da |
| Component type: | SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R,4S,5R,6R)-3-amino-6-(dihydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | (2R,3R,4S,5R,6R)-3-azanyl-6-[bis(oxidanyl)methyl]oxane-2,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(O)C(OC(O)C1N)C(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-6,8-12H,7H2/t1-,2+,3-,4-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | ZMSOBRHWUAXIKZ-PTPXTALPSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H]1[C@H](O)O[C@@H](C(O)O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.370 | N[CH]1[CH](O)O[CH](C(O)O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [C@H]1([C@@H]([C@H]([C@@H](O[C@H]1O)C(O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1(C(C(C(OC1O)C(O)O)O)O)N |
