DVC
Summary
| Name: | (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol |
| Formula: | C7 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 177.198 Da |
| Component type: | L-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,4S,6S)-4-amino-4,6-dimethyldihydro-2H-pyran-2,5,5(6H)-triol (non-preferred name) |
| OpenEye OEToolkits | 1.7.0 | (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1OC(C(O)(O)C(N)(C)C1)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]1O[C@@H](O)C[C@](C)(N)C1(O)O |
| SMILES | CACTVS | 3.370 | C[CH]1O[CH](O)C[C](C)(N)C1(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]1C([C@@](C[C@@H](O1)O)(C)N)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1C(C(CC(O1)O)(C)N)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO4/c1-4-7(10,11)6(2,8)3-5(9)12-4/h4-5,9-11H,3,8H2,1-2H3/t4-,5+,6-/m0/s1 |
| InChIKey | InChI | 1.03 | ATGUYZRYRGIDLC-JKUQZMGJSA-N |
