(2R)-2-[(2R)-oxolan-2-yl]butanedioate
Formula:C8H10O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-2-[(2R)-oxolan-2-yl]butanedioate is a drug-like molecule.
| MolName | (2R)-2-[(2R)-oxolan-2-yl]butanedioate |
| MolecularFormula | C8H10O5 |
| Smiles | [O-]C(C[C@H]([C@@H]1OCCC1)C([O-])=O)=O |
| InChI | InChI=1S/C8H12O5/c9-7(10)4-5(8(11)12)6-2-1-3-13-6/h5-6H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-,6-/m1/s1 |
| InChIK | YPTJQLHSRLXMCY-PHDIDXHHSA-L |
| TotalMolweight | 186.162 |
| Molweight | 186.162 |
| MonoisotopicMass | 186.052825 |
| CLogP | -4.7068 |
| CLogS | -1.019 |
| H Acceptors | 5 |
| TotalSurfaceArea | 140.6 |
| Relative PSA | 0.45974 |
| PolarSurfaceArea | 89.49 |
| Druglikeness | -0.89901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 9 |
| AcidicOxygens | 2 |
| StereoCon | this enantiomer |
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