D-Alluronic Acid
PubChem CID: 6602103
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | D-Alluronic Acid, D-Allopyranuronic Acid, Alluronate, Allopyranuronate, Alluronic acid, D-Alluronate, AllA, D-Allopyranuronate, Allopyranuronic Acid, D-AllA, CHEMBL2068684, CHEBI:182515, (2S,3S,4R,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid, C21037 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P02545, Q9NUW8, Q16665, O97447, Q9UNA4, O75496, P27695 |
| Iupac Name | (2S,3S,4R,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT50, NPT211 |
| Xlogp | -2.3 |
| Molecular Formula | C6H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEMOLEFTQBMNLQ-PKKLWIBTSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.012 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.742 |
| Compound Name | D-Alluronic 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 | 0.49653819999999976 |
| 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?/m1/s1 |
| Smiles | [C@H]1([C@@H]([C@H](OC([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 Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Astragalus Membranaceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all