YKR
Summary
| Name: | 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranose |
| Synonyms: | 4-benzyl-alpha-D-glucosamine 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucose; 2-amino-4-O-benzyl-2-deoxy-D-glucose; 2-amino-4-O-benzyl-2-deoxy-glucose |
| Formula: | C13 H19 N O5 |
| Formal charge: | 0 |
| Formula weight: | 269.294 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.9.2 | (2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-5-phenylmethoxy-oxane-2,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC2C(OCc1ccccc1)C(OC(O)C2N)CO |
| InChI | InChI | 1.03 | InChI=1S/C13H19NO5/c14-10-11(16)12(9(6-15)19-13(10)17)18-7-8-4-2-1-3-5-8/h1-5,9-13,15-17H,6-7,14H2/t9-,10-,11-,12-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | IFOCVXNXLGGVEE-VEGXAWMVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1O |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)O[CH](CO)[CH](OCc2ccccc2)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)COC2C(OC(C(C2O)N)O)CO |
