l-aspartic acid, sodium salt
PubChem CID: 5460541
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| Compound Synonyms | (2S)-2-aminobutanedioate, L-Aspartic acid, sodium salt, aspartate, L-aspartate(2-), (S)-Aspartate, 17090-93-6, (+)-Aspartate, (S)-Aminobutanedioate, (S)-2-Aminobutanedioate, L-aspartic acid dianion, (2S)-2-aminosuccinate, CHEBI:29993, CKLJMWTZIZZHCS-REOHCLBHSA-L, Q27110360, 241-155-6 |
|---|---|
| Topological Polar Surface Area | 106.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-aminobutanedioate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.6 |
| Is Pains | False |
| Molecular Formula | C4H5NO4-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CKLJMWTZIZZHCS-REOHCLBHSA-L |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 1.0 |
| Compound Name | l-aspartic acid, sodium salt |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 131.022 |
| Formal Charge | -2.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 131.022 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 131.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.5154606000000002 |
| Inchi | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1 |
| Smiles | C([C@@H](C(=O)[O-])N)C(=O)[O-] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients