MQG
Summary
| Name: | 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose |
| Synonyms: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-methyl-phosphonamidic acid 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucose; 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-D-glucose; 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-glucose |
| Formula: | C7 H16 N O7 P |
| Formal charge: | 0 |
| Formula weight: | 257.178 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-methyl-phosphonamidic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H16NO7P/c1-16(13,14)8-4-6(11)5(10)3(2-9)15-7(4)12/h3-7,9-12H,2H2,1H3,(H2,8,13,14)/t3-,4-,5-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | LKDVLOHRQALDHT-NYMZXIIRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[P](O)(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[P](O)(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CP(=O)(NC1C(C(C(OC1O)CO)O)O)O |
