GN4
Summary
| Name: | 2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose |
| Synonyms: | 2-(acetylamino)-2-deoxy-4-O-phosphono-beta-D-glucopyranose 2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucose; 2-acetamido-2-deoxy-4-O-phosphono-D-glucose; 2-acetamido-2-deoxy-4-O-phosphono-glucose |
| Formula: | C8 H16 N O9 P |
| Formal charge: | 0 |
| Formula weight: | 301.188 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(acetylamino)-2-deoxy-4-O-phosphono-beta-D-glucopyranose |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)NC1C(O)OC(C(C1O)OP(O)(O)=O)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H16NO9P/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | DHZPCJWLUQMUPF-FMDGEEDCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC1C(C(C(OC1O)CO)OP(=O)(O)O)O |
