[(2R,3R,4R,5S)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:C6H14O12P2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2R,3R,4R,5S)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate is not a drug-like molecule.
| MolName | [(2R,3R,4R,5S)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate |
| MolecularFormula | C6H14O12P2 |
| Smiles | O[C@@H]([C@H](COP(O)(O)=O)O[C@@]1(COP(O)(O)=O)O)[C@H]1O |
| InChI | InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5-,6-/m1/s1 |
| InChIK | RNBGYGVWRKECFJ-KVTDHHQDSA-N |
| TotalMolweight | 340.113 |
| Molweight | 340.113 |
| MonoisotopicMass | 339.996054 |
| CLogP | -9.2607 |
| CLogS | 3.542 |
| H Acceptors | 12 |
| H Donors | 7 |
| TotalSurfaceArea | 197.42 |
| Relative PSA | 0.78888 |
| PolarSurfaceArea | 223.06 |
| Druglikeness | -22.159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| StereoCenters | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 18 |
| Symmetricatoms | 2 |
| AcidicOxygens | 4 |
| StereoCon | this enantiomer |
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1 - [(2R,3R,4R,5S)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate | 2 - [(2R,3R,4R,5S)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
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