J79
Summary
| Name: | (2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid |
| Formula: | C11 H20 N O11 P |
| Formal charge: | 0 |
| Formula weight: | 373.25 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | NMEMTQKUEVNSPV-YVNCZSHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@@H](O)[C@@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)OC1C(C(OC(C1O)COP(=O)(O)O)O)NC(=O)C |
