(2S)-2,3-diphosphonooxypropanoic acid
Formula:C3H8O10P2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-2,3-diphosphonooxypropanoic acid is a drug-like molecule.
| MolName | (2S)-2,3-diphosphonooxypropanoic acid |
| MolecularFormula | C3H8O10P2 |
| Smiles | OC([C@H](COP(O)(O)=O)OP(O)(O)=O)=O |
| InChI | InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m0/s1 |
| InChIK | XOHUEYCVLUUEJJ-REOHCLBHSA-N |
| TotalMolweight | 266.035 |
| Molweight | 266.035 |
| MonoisotopicMass | 265.959274 |
| CLogP | -8.2808 |
| CLogS | 3.337 |
| H Acceptors | 10 |
| H Donors | 5 |
| TotalSurfaceArea | 156.8 |
| Relative PSA | 0.84554 |
| PolarSurfaceArea | 190.44 |
| Druglikeness | -20.11 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| AcidicOxygens | 5 |
| StereoCon | this enantiomer |
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1 - (2S)-2,3-diphosphonooxypropanoic acid | 2 - (2S)-2,3-diphosphonooxypropanoic acid
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