(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
Formula:C6H13NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol is a drug-like molecule.
| MolName | (2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol |
| MolecularFormula | C6H13NO5 |
| Smiles | N[C@H](C1O)[C@@H](O)OC(CO)[C@@H]1O |
| InChI | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2?,3-,4-,5?,6+/m1/s1 |
| InChIK | MSWZFWKMSRAUBD-PRPIVIPDSA-N |
| TotalMolweight | 179.171 |
| Molweight | 179.171 |
| MonoisotopicMass | 179.079374 |
| CLogP | -3.0186 |
| CLogS | 0.175 |
| H Acceptors | 6 |
| H Donors | 5 |
| TotalSurfaceArea | 120.18 |
| Relative PSA | 0.64628 |
| PolarSurfaceArea | 116.17 |
| Druglikeness | 0.12186 |
| 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 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - (2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol | 2 - (2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
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