(S)-(-)-Methylsuccinic Acid
PubChem CID: 6950476
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| Compound Synonyms | 2174-58-5, (S)-(-)-Methylsuccinic acid, (S)-2-methylsuccinic acid, (2S)-2-methylbutanedioic acid, (S)-(-)-Pyrotartaric Acid, (S)-methylsuccinic acid, (s)-2-methylsuccinicacid, MFCD00192321, methylsuccinate, 2-methylbutanedioate, Butanedioic acid, methyl-, (2S)-, Pyrotartarate, Methylbutanedioate, MEZ, (2s)-methylsuccinic acid, (S)-2-methylbutanedioic acid, SCHEMBL791253, CHEBI:91316, (S)-2-Hydroxy-2-methylsuccinate, DTXSID001331129, BCP23566, (S)-(-)-Methylsuccinic acid, 99%, AKOS015840167, DS-12222, CS-0035659, M1227, Q27163206, 625-480-4 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-methylbutanedioic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | -0.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C5H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXUAQHNMJWJLTG-VKHMYHEASA-N |
| Fcsp3 | 0.6 |
| Logs | 0.126 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 2.383 |
| Synonyms | (S)-2-Methylbutanedioic acid, (S)-2-Methylbutanedioate, Methylsuccinate, (S)-Methylsuccinate, (-)-(2S)-Methylbutanedioic acid, (-)-(S)-alpha-Methylsuccinic acid, (-)-(S)-Α-methylsuccinic acid, (-)-2-Methylsuccinic acid, (-)-Methylsuccinic acid, (-)-alpha-Methylsuccinic acid, (-)-Α-methylsuccinic acid, (2S)-2-Methylbutanedioic acid, (2S)-Methylbutanedioic acid, (S)-(-)-2-Methylsuccinic acid, (S)-(-)-Methylsuccinic acid, (S)-2-Methylsuccinic acid, (S)-Methylsuccinic acid, (S)-alpha-Methylsuccinic acid, (S)-Α-methylsuccinic acid, 1,2-Propanedicarboxylic acid, 2-Methylbutane-1,4-dioic acid, 2-Methylbutanedioic acid, 2-Methylsuccinic acid, Methylbutanedioic acid, Pyrotartaric acid, alpha-Methylsuccinic acid, Α-methylsuccinic acid, Methylsuccinic acid |
| Compound Name | (S)-(-)-Methylsuccinic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 132.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.32881299999999986 |
| Inchi | InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1 |
| Smiles | C[C@@H](CC(=O)O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Methyl-branched fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients