(2S,3S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
Formula:C11H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S,3S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol is a drug-like molecule.
| MolName | (2S,3S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol |
| MolecularFormula | C11H15N5O3 |
| Smiles | Nc1c2ncn([C@@H](C3)CO[C@@H](CO)[C@H]3O)c2ncn1 |
| InChI | InChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(18)8(2-17)19-3-6/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,8+/m1/s1 |
| InChIK | FVSBOJWVDIPQPA-CSMHCCOUSA-N |
| TotalMolweight | 265.272 |
| Molweight | 265.272 |
| MonoisotopicMass | 265.11749 |
| CLogP | -0.9885 |
| CLogS | -1.331 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 189.84 |
| Relative PSA | 0.48067 |
| PolarSurfaceArea | 119.31 |
| Druglikeness | 2.0584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 9 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2S,3S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol | 2 - (2S,3S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
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