Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P1(OP(=O)(OCC(O)C(O1)(C)CO)O)O |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@]1(CO)O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]1O |
SMILES | CACTVS | 3.341 | C[C]1(CO)O[P](O)(=O)O[P](O)(=O)OC[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO |
InChI | InChI | 1.03 | InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1 |
InChIKey | InChI | 1.03 | SFRQRNJMIIUYDI-UHNVWZDZSA-N |