(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
PubChem CID: 11869377
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| Compound Synonyms | SCHEMBL15596882 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | -2.3 |
| Molecular Formula | C6H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEMOLEFTQBMNLQ-IJAWEHMJSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.043 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.521 |
| Compound Name | (2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 194.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.4965382 |
| Inchi | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4+,6-/m0/s1 |
| Smiles | [C@@H]1([C@H]([C@@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Armoracia Rusticana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sophora Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Tropaeolum Majus (Plant) Rel Props:Source_db:cmaup_ingredients