XDP
Summary
| Name: | D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE |
| Formula: | C5 H14 O12 P2 |
| Formal charge: | 0 |
| Formula weight: | 328.105 Da |
| Component type: | D-SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3S)-2,3,4,4-tetrahydroxy-5-(phosphonooxy)pentyl dihydrogen phosphate (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | [(3S,4R)-2,2,3,4-tetrahydroxy-5-phosphonooxy-pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(O)C(O)(O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CO[P](O)(O)=O)[C@H](O)C(O)(O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)[CH](O)C(O)(O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H14O12P2/c6-3(1-16-18(10,11)12)4(7)5(8,9)2-17-19(13,14)15/h3-4,6-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+/m1/s1 |
| InChIKey | InChI | 1.03 | XXHQHBUKQCAIGV-DMTCNVIQSA-N |
