Sodium 3-carboxy-2-hydroxypropanoate
PubChem CID: 23681190
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| Compound Synonyms | sodium hydrogen dl-malate, 58214-38-3, Sodium 3-carboxy-2-hydroxypropanoate, sodium, 2,4-dihydroxy-4-oxobutanoate, DL-Malic acid monosodium salt, SCHEMBL516358, L(-)Malic acid monosodium salt, MFCD00798569, NS00081769, NS00088985 |
|---|---|
| Topological Polar Surface Area | 97.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, 2,4-dihydroxy-4-oxobutanoate |
| Prediction Hob | 1.0 |
| Molecular Formula | C4H5NaO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DOJOZCIMYABYPO-UHFFFAOYSA-M |
| Fcsp3 | 0.5 |
| Logs | 0.114 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.459 |
| Compound Name | Sodium 3-carboxy-2-hydroxypropanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.003 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.003 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 156.07 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C4H6O5.Na/c5-2(4(8)9)1-3(6)7, /h2,5H,1H2,(H,6,7)(H,8,9), /q, +1/p-1 |
| Smiles | C(C(C(=O)[O-])O)C(=O)O.[Na+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients