MRS2690
SMILES | OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O |
InChIKey | TYVFMVSNSGMZPA-QBNUFUENSA-L |
Chemical properties
Hydrogen bond acceptors | 18 |
Hydrogen bond donors | 7 |
Rotatable bonds | 11 |
Molecular weight (Da) | 626.0 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |