L-Man-aric
PubChem CID: 11988274
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| Compound Synonyms | L-mannaric acid, (2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanedioic acid, Zuckersaure, L-Man-aric, SCHEMBL77363, CHEBI:21359, G85800UH, Q27109395 |
|---|---|
| Topological Polar Surface Area | 156.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanedioic acid |
| Prediction Hob | 0.0 |
| Xlogp | -2.5 |
| Molecular Formula | C6H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSLZVSRJTYRBFB-ZNIBRBMXSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.157 |
| Rotatable Bond Count | 5.0 |
| Logd | -1.979 |
| Compound Name | L-Man-aric |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 210.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7684444000000001 |
| 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)/t1-,2-,3-,4-/m1/s1 |
| 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 Phyllanthus Emblica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients