(2R)-2-hydroxyhexanedioic acid
PubChem CID: 9855559
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| Compound Synonyms | (2R)-2-hydroxyhexanedioic acid, 77252-44-9, (R)-2-HYDROXYADIPIC ACID, 2(R)-Hydroxyadipic acid, (2R)-2-Hydroxyadipic acid, (2R)-2-HYDROXY-HEXANEDIOIC ACID, 2(R)-Hydroxyadipate, (2R)-2-Hydroxyadipate, H6VQB36KX9, 2-hydroxy-(R)-Hexanedioate, SCHEMBL15228931, 2-hydroxy-(R)-Hexanedioic acid, CHEBI:55541, (2R)-2-Oxidanylhexanedioic acid, DTXSID901306747, 2-Hydroxyhexanedioic acid, (2R)-, Hexanedioic acid, 2-hydroxy-, (R)-, Hexanedioic acid, 2-hydroxy-, (2R)-, Q27124358 |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Description | 2(R)-Hydroxyadipic acid is an unusual metabolic isomer of 2-Hydroxyadipic acid (a metabolite that accumulates in 2-ketoadipic acidemia) normally present in bacteria, described in normal human biofluids (PMID 6788787) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-hydroxyhexanedioic acid |
| Prediction Hob | 1.0 |
| Xlogp | -0.6 |
| Molecular Formula | C6H10O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OTTXIFWBPRRYOG-SCSAIBSYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.199 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | -1.092 |
| Synonyms | (2R)-2-Hydroxyadipate, (2R)-2-Hydroxyadipic acid, 2-hydroxy-(R)-Hexanedioate, 2-hydroxy-(R)-Hexanedioic acid, 2(R)-Hydroxyadipate, 2(R)-Hydroxyadipic acid |
| Compound Name | (2R)-2-hydroxyhexanedioic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 162.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 162.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.14357419999999993 |
| Inchi | InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1 |
| Smiles | C(C[C@H](C(=O)O)O)CC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients