(R)-(+)-Methylsuccinic Acid
PubChem CID: 77983
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| Compound Synonyms | 3641-51-8, (R)-(+)-Methylsuccinic acid, (r)-2-methylsuccinic acid, (2R)-2-methylbutanedioic acid, (R)-(+)-Pyrotartaric Acid, (R)-methylsuccinic acid, d-Methylsuccinic acid, Butanedioic acid, methyl-, (R)-, Butanedioic acid, methyl-, (2R)-, MFCD00209602, (+)-Methylsuccinic acid, (r)-2-methylsuccinicacid, (R)-2-methylbutanedioic acid, d-MethylbernsteinsA currencyure, SCHEMBL2599566, CHEBI:91317, DTXSID70189937, WXUAQHNMJWJLTG-GSVOUGTGSA-N, (R)-(+)-Methylsuccinic acid, 99%, AKOS006378565, AKOS015840292, FM60117, AS-38245, CS-0200145, M1226, Q27163207, 626-004-8 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-methylbutanedioic acid |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C5H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXUAQHNMJWJLTG-GSVOUGTGSA-N |
| Fcsp3 | 0.6 |
| Logs | 0.126 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.383 |
| Compound Name | (R)-(+)-Methylsuccinic Acid |
| 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 |
| 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-/m1/s1 |
| Smiles | C[C@H](CC(=O)O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 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