6GP
Summary
| Name: | N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine |
| Synonyms: | METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE N-[methoxy(oxo)acetyl]-beta-D-glucosylamine; N-[methoxy(oxo)acetyl]-D-glucosylamine; N-[methoxy(oxo)acetyl]-glucosylamine |
| Formula: | C9 H15 N O8 |
| Formal charge: | 0 |
| Formula weight: | 265.217 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | methyl 2-oxo-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OC |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | COC(=O)C(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)C(=O)NC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO8/c1-17-9(16)7(15)10-8-6(14)5(13)4(12)3(2-11)18-8/h3-6,8,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | OHCAXSUQOPLGLU-QOHYDMMQSA-N |
