CBF
Summary
| Name: | (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide |
| Synonyms: | C-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDE |
| Formula: | C7 H13 N O7 |
| Formal charge: | 0 |
| Formula weight: | 223.181 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name) |
| OpenEye OEToolkits | 1.6.1 | (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(N)C1(O)OC(C(O)C(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.352 | NC(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.352 | NC(=O)[C]1(O)O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C1C(C(C(C(O1)(C(=O)N)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO7/c8-6(13)7(14)5(12)4(11)3(10)2(1-9)15-7/h2-5,9-12,14H,1H2,(H2,8,13)/t2-,3-,4+,5-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | DTZYCNDAJQDPQC-UHKLXPPTSA-N |
