(2R,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
PubChem CID: 101406944
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| Topological Polar Surface Area | 121.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Molecular Formula | C6H6O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PFHZIWAVXDSFTB-BBIVZNJYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.507 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.314 |
| Compound Name | (2R,3R)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.011 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.011 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 190.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.11176339999999974 |
| Inchi | InChI=1S/C6H6O7/c7-2-1-6(12,5(10)11)3(13-2)4(8)9/h3,12H,1H2,(H,8,9)(H,10,11)/t3-,6+/m0/s1 |
| Smiles | C1C(=O)O[C@H]([C@]1(C(=O)O)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marrubium Velutinum (Plant) Rel Props:Source_db:cmaup_ingredients