Adderall
PubChem CID: 607
Connections displayed (default: 10).
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| Compound Synonyms | Obetrol, Schleimsaure, Adderall, Galactaric-acid-, Tetrahydroxyadipic acid, Galactaric acid, D-, NSC8127, 80876-58-0, Galactaric acid, Galactosaccharic acid, Saccharolactic acid, MFCD09752094, NCGC00096080-01, Adderall (TN), d-Galactaric acid #, Spectrum_000129, SpecPlus_000412, WLN: QVYQYQYQYQVQ, Spectrum2_001454, Spectrum4_001910, Spectrum5_000600, SCHEMBL5497, Dextroamphetamine-Amphetamine, Glucaric acid, Saccharic acid, KBioGR_002506, KBioSS_000589, DivK1c_006508, SPECTRUM1501211, SPBio_001347, CHEMBL1616278, KBio1_001452, KBio2_000589, KBio2_003157, KBio2_005725, BCP29834, CCG-38868, AKOS024386337, SB45456, SDCCGMLS-0066970.P001, LS-13158, NCI60_000682, SY061881, SY332289, DB-015672, NS00010082, SR-05000002451, SR-05000002451-1, A9C2B0B4-D17A-489A-A900-65FFAE0F00B6 |
|---|---|
| Topological Polar Surface Area | 156.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 14.0 |
| Description | Present in apples and grapefruit. D-Glucaric acid is found in pomes and citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P06133, P22310, P16662, P22309, O60656, P19224 |
| Iupac Name | 2,3,4,5-tetrahydroxyhexanedioic acid |
| Prediction Hob | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.5 |
| Superclass | Organooxygen compounds |
| Subclass | Sugar acids and derivatives |
| Molecular Formula | C6H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSLZVSRJTYRBFB-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.157 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | -1.979 |
| Synonyms | D-(+)-Saccharic acid, D-2,3,4,5-Tetrahydroxyhexanedioic acid, D-galactarate, D-glucarate, D-Glucaric acid, D-glucosaccharic acid, D-mucic acid, D-saccharic acid, L-Gularic acid, (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioate, (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid, 1,2,3,4-Tetrahydroxy-1,4-butanedicarboxylic acid, Acido galactarico, Acido mucico, D-Galactaric acid, Galactarate, Galactarsaeure, Galactosaccharate, Galactosaccharic acid, Galaktarsaeure, Hexaric acid, Meso-galactaric acid, MTPA, Mucate, Mucic acid, Mucinsaeure, Saccharolactate, Saccharolactic acid, Schleimsaeure, Schleimsaure, Tetrahydroxyadipic acid, Tetrahydroxyhexanedioic acid |
| Substituent Name | Glucuronic acid or derivatives, Medium-chain hydroxy acid, Medium-chain fatty acid, Beta-hydroxy acid, Fatty acyl, Fatty acid, Monosaccharide, Hydroxy acid, Dicarboxylic acid or derivatives, Alpha-hydroxy acid, Secondary alcohol, Polyol, 1,2-diol, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Compound Name | Adderall |
| Kingdom | Organic compounds |
| 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) |
| Smiles | C(C(C(C(=O)O)O)O)(C(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 - 3. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all