Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@H](O)[C@@H](CO[V](O)(=O)=O)O[C@H](O[P](O)(O)=O)[C@@H]1O |
SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](CO[V](O)(=O)=O)O[CH](O[P](O)(O)=O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-6,8-10H,1H2,(H2,11,12,13);1H2;;;/q-1;;;;+2/p-1/t2-,3-,4+,5-,6-;;;;/m1..../s1 |
InChIKey | InChI | 1.03 | SYRDAPWACIANBN-QMKHLHGBSA-M |