1,4-dimethyl (2R)-2-hydroxybutanedioate
PubChem CID: 11062697
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| Compound Synonyms | 70681-41-3, (R)-Dimethyl 2-hydroxysuccinate, D-(+)-Malic Acid Dimethyl Ester, Dimethyl D-malate, 1,4-Dimethyl (2R)-2-Hydroxybutanedioate, Butanedioic acid, hydroxy-, dimethyl ester, (2R)-, dimethyl (2R)-2-hydroxybutanedioate, MFCD00066216, Dimethyl D-(+)-Malate, dimethyl (r)-malate, (+)-Dimethyl malate, SCHEMBL1691025, DTXSID30892495, D-(+)-Apple Acid Dimethyl Ester, Dimethyl (R)-(+)-malate, 98%, AKOS015910996, CS-W016123, (R)-2-hydroxysuccinic acid dimethylester, AS-60590, (R)-2-hydroxysuccinic acid dimethyl ester, M1347, D91488, EN300-183703, 829-455-0 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | dimethyl (2R)-2-hydroxybutanedioate |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C6H10O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YSEKNCXYRGKTBJ-SCSAIBSYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.229 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.709 |
| Compound Name | 1,4-dimethyl (2R)-2-hydroxybutanedioate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 162.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 162.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.08687419999999985 |
| Inchi | InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m1/s1 |
| Smiles | COC(=O)C[C@H](C(=O)OC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Homalomena Occulta (Plant) Rel Props:Source_db:cmaup_ingredients