04O
Summary
| Name: | 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranose |
| Formula: | C15 H21 N O5 |
| Formal charge: | 0 |
| Formula weight: | 295.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.9.2 | (2R,4aR,6S,7R,8R,8aS)-7-azanyl-2-(2-phenylethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,8-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O1C(O)C(N)C(O)C2OC(OCC12)CCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H21NO5/c16-12-13(17)14-10(20-15(12)18)8-19-11(21-14)7-6-9-4-2-1-3-5-9/h1-5,10-15,17-18H,6-8,16H2/t10-,11-,12-,13-,14-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | AWZFJXPWUYCUGB-OJVARPOJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1[C@@H](O)O[C@@H]2CO[C@@H](CCc3ccccc3)O[C@H]2[C@@H]1O |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)O[CH]2CO[CH](CCc3ccccc3)O[CH]2[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CCC2OCC3C(O2)C(C(C(O3)O)N)O |
