Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | P(O)(O)(OCC(O)C(CCO)OP(O)(O)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C5H14O10P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1 |
InChIKey | InChI | 1.03 | BUWHXMOYXFBKFR-UHNVWZDZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@H](O[P](O)(O)=O)[C@H](O)CO[P](O)(O)=O |
SMILES | CACTVS | 3.385 | OCC[CH](O[P](O)(O)=O)[CH](O)CO[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(CO)C(C(COP(=O)(O)O)O)OP(=O)(O)O |