Galactarate(2-)
PubChem CID: 5459845
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| Compound Synonyms | galactarate(2-), mucate, meso-galactarate, (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate, (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioate, CHEBI:16537, DSLZVSRJTYRBFB-DUHBMQHGSA-L, Q27101963 |
|---|---|
| Topological Polar Surface Area | 161.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -1.8 |
| Is Pains | False |
| Molecular Formula | C6H8O8-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSLZVSRJTYRBFB-DUHBMQHGSA-L |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.157 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.979 |
| Compound Name | Galactarate(2-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.022 |
| Formal Charge | -2.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 208.022 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 208.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.05014360000000012 |
| Inchi | InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2+,3+,4- |
| Smiles | [C@@H]([C@@H]([C@H](C(=O)[O-])O)O)([C@@H](C(=O)[O-])O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stauntonia Hexaphylla (Plant) Rel Props:Source_db:cmaup_ingredients