ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate
PubChem CID: 163095762
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| Topological Polar Surface Area | 72.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C7H10O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YAVWYXFHBSENDI-ZETCQYMHSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.392 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.927 |
| Compound Name | ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 174.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 174.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5579424 |
| Inchi | InChI=1S/C7H10O5/c1-2-11-6(9)7(10)4-3-5(8)12-7/h10H,2-4H2,1H3/t7-/m0/s1 |
| Smiles | CCOC(=O)[C@@]1(CCC(=O)O1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients