(2S,3S,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid
Formula:C7H14O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S,3S,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid is not a drug-like molecule.
| MolName | (2S,3S,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid |
| MolecularFormula | C7H14O8 |
| Smiles | OC[C@H]([C@H]([C@@H]([C@@H]([C@@H](C(O)=O)O)O)O)O)O |
| InChI | InChI=1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)/t2-,3-,4+,5+,6+/m1/s1 |
| InChIK | KWMLJOLKUYYJFJ-PQMKYFCFSA-N |
| TotalMolweight | 226.18 |
| Molweight | 226.18 |
| MonoisotopicMass | 226.06887 |
| CLogP | -4.0628 |
| CLogS | 0.693 |
| H Acceptors | 8 |
| H Donors | 7 |
| TotalSurfaceArea | 151.96 |
| Relative PSA | 0.68926 |
| PolarSurfaceArea | 158.68 |
| Druglikeness | 2.049 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 5 |
| Rotatable Bond | 6 |
| Sp3Atoms | 13 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - (2S,3S,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid | 2 - (2S,3S,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid
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