3FM
Summary
| Name: | 3-O-carbamoyl-alpha-D-mannopyranose |
| Synonyms: | 3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSIDE 3-O-carbamoyl-alpha-D-mannose; 3-O-carbamoyl-D-mannose; 3-O-carbamoyl-mannose |
| 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 | 10.04 | 3-O-carbamoyl-alpha-D-mannopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2S,3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC1C(O)C(OC(O)C1O)CO)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)O[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO)[C@H]1O |
| SMILES | CACTVS | 3.341 | NC(=O)O[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)OC(=O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)O)O)OC(=O)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO7/c8-7(13)15-5-3(10)2(1-9)14-6(12)4(5)11/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | VHSXUACPEQOKHS-PQMKYFCFSA-N |
