(2R,4S,5R,6R)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
Formula:C6H12O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R,4S,5R,6R)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol is a drug-like molecule.
| MolName | (2R,4S,5R,6R)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol |
| MolecularFormula | C6H12O5S |
| Smiles | OC[C@H](C([C@@H]([C@H]1O)O)O)O[C@@H]1S |
| InChI | InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3?,4-,5-,6-/m1/s1 |
| InChIK | JUSMHIGDXPKSID-XNUHKYLVSA-N |
| TotalMolweight | 196.222 |
| Molweight | 196.222 |
| MonoisotopicMass | 196.040545 |
| CLogP | -1.49 |
| CLogS | -0.73 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 127.52 |
| Relative PSA | 0.66664 |
| PolarSurfaceArea | 128.95 |
| Druglikeness | -6.8195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 12 |
| StereoCon | unknown chirality |
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1 - (2R,4S,5R,6R)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol | 2 - (2R,4S,5R,6R)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
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