sodium
PubChem CID: 24848123
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 175.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | sodium, (2R,3R)-2,3-dihydroxybutanedioic acid, hydrogen carbonate |
| Prediction Hob | 0.0 |
| Molecular Formula | C5H7NaO9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XPQGQRUKEBSKNW-OLXYHTOASA-M |
| Fcsp3 | 0.4 |
| Logs | -0.439 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.578 |
| Compound Name | sodium, (2R,3R)-2,3-dihydroxybutanedioic acid, hydrogen carbonate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 233.999 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 233.999 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 234.09 |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C4H6O6.CH2O3.Na/c5-1(3(7)8)2(6)4(9)10, 2-1(3)4, /h1-2,5-6H,(H,7,8)(H,9,10), (H2,2,3,4), /q, , +1/p-1/t1-,2-, , /m1../s1 |
| Smiles | [C@@H]([C@H](C(=O)O)O)(C(=O)O)O.C(=O)(O)[O-].[Na+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ampelopsis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Codonopsis Subglobosa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ficus Pumila (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients