(3S,4S,5R)-1-amino-3,4,5,6-tetrahydroxyhexan-2-one
Formula:C6H13NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S,4S,5R)-1-amino-3,4,5,6-tetrahydroxyhexan-2-one is a drug-like molecule.
| MolName | (3S,4S,5R)-1-amino-3,4,5,6-tetrahydroxyhexan-2-one |
| MolecularFormula | C6H13NO5 |
| Smiles | NCC([C@H]([C@H]([C@@H](CO)O)O)O)=O |
| InChI | InChI=1S/C6H13NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h4-6,8,10-12H,1-2,7H2/t4-,5-,6+/m1/s1 |
| InChIK | XBBIACPUMILHFE-PBXRRBTRSA-N |
| TotalMolweight | 179.171 |
| Molweight | 179.171 |
| MonoisotopicMass | 179.079374 |
| CLogP | -3.5748 |
| CLogS | 0.419 |
| H Acceptors | 6 |
| H Donors | 5 |
| TotalSurfaceArea | 130.19 |
| Relative PSA | 0.61994 |
| PolarSurfaceArea | 124.01 |
| Druglikeness | 0.65397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 3 |
| Rotatable Bond | 5 |
| Sp3Atoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (3S,4S,5R)-1-amino-3,4,5,6-tetrahydroxyhexan-2-one | 2 - (3S,4S,5R)-1-amino-3,4,5,6-tetrahydroxyhexan-2-one
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