(S)-malate(2-)
PubChem CID: 5459792
Connections displayed (default: 10).
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| Compound Synonyms | L-malate, (2S)-2-hydroxybutanedioate, (S)-malate(2-), (S)-malate, CHEBI:15589, L-Hydroxysuccinic acid, CHEMBL493556, (2S)-2-oxidanylbutanedioate, BJEPYKJPYRNKOW-REOHCLBHSA-L, BDBM50257204, A836370, Q27098126 |
|---|---|
| Topological Polar Surface Area | 100.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-hydroxybutanedioate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Is Pains | False |
| Molecular Formula | C4H4O5-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJEPYKJPYRNKOW-REOHCLBHSA-L |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (S)-malate(2-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.006 |
| Formal Charge | -2.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 132.006 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 132.07 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0908401999999997 |
| Inchi | InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1 |
| Smiles | C([C@@H](C(=O)[O-])O)C(=O)[O-] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taraxacum Borealisinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Taraxacum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Taraxacum Mongolicum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Taraxacum Platycarpum (Plant) Rel Props:Source_db:cmaup_ingredients