CR1
Summary
| Name: | N-(methoxycarbonyl)-beta-D-glucopyranosylamine |
| Synonyms: | 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCOPYRANOSE N-(methoxycarbonyl)-beta-D-glucosylamine; N-(methoxycarbonyl)-D-glucosylamine; N-(methoxycarbonyl)-glucosylamine |
| Formula: | C8 H15 N O7 |
| Formal charge: | 0 |
| Formula weight: | 237.207 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(methoxycarbonyl)-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | methyl N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate |
| PDB-CARE | 1.0 | 1-deoxy-1-methoxycarbamido-b-D-glucopyranose |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)NC1OC(C(O)C(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | COC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=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)NC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | IZZJOGWXTFEDLL-XUUWZHRGSA-N |
