X3X
Summary
| Name: | bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate |
| Synonyms: | diglycerolphosphate |
| Formula: | C6 H15 O8 P |
| Formal charge: | 0 |
| Formula weight: | 246.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate |
| OpenEye OEToolkits | 1.7.6 | bis[(2S)-2,3-bis(oxidanyl)propyl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC(O)CO)(OCC(O)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | LLCSXHMJULHSJN-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H](O)CO[P](O)(=O)OC[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | OC[CH](O)CO[P](O)(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H](COP(=O)(O)OC[C@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(COP(=O)(O)OCC(CO)O)O)O |
