XDX
Summary
| Name: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid |
| Synonyms: | (2R)-2-(alpha-D-glucosyloxy)-3-(phosphonooxy)propanoic acid (2R)-2-(D-glucosyloxy)-3-(phosphonooxy)propanoic acid; (2R)-2-(glucosyloxy)-3-(phosphonooxy)propanoic acid |
| Formula: | C9 H17 O12 P |
| Formal charge: | 0 |
| Formula weight: | 348.198 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid |
| OpenEye OEToolkits | 2.0.4 | (2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-phosphonooxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OP(O)(=O)OCC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | RJDBNSZFZDWPFL-CECBSOHTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](O[C@H](CO[P](O)(O)=O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O[CH](CO[P](O)(O)=O)C(O)=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](COP(=O)(O)O)C(=O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C(C1C(C(C(C(O1)OC(COP(=O)(O)O)C(=O)O)O)O)O)O |
