2-Hydroxyhexanedioic Acid - CAS 18294-85-4
Catalog: |
BB014027 |
Product Name: |
2-Hydroxyhexanedioic Acid |
CAS: |
18294-85-4 |
Synonyms: |
2-hydroxyhexanedioic acid; 2-hydroxyhexanedioic acid |
IUPAC Name: | 2-hydroxyhexanedioic acid |
Description: | Accumulation and excretion of 2-Hydroxyhexanedioic Acid (with 2-ketoadipic and 2-aminoadipic) in urine can be caused by 2-ketoadipic acidemia, probably without adverse phenotypic effects , due to deficiency of 2-ketoadipic dehydrogenase. |
Molecular Weight: | 162.14 |
Molecular Formula: | C6H10O5 |
Canonical SMILES: | C(CC(C(=O)O)O)CC(=O)O |
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) |
InChI Key: | OTTXIFWBPRRYOG-UHFFFAOYSA-N |
Boiling Point: | 401.6 °C at 760 mmHg |
Density: | 1.413 g/cm3 |
Appearance: | Solid |
LogP: | -0.31320 |
Publication Number | Title | Priority Date |
CN-113462026-A | Composite calcium-zinc heat stabilizer composition and preparation method and application thereof | 20210731 |
CN-113265720-A | Polyester fiber with uvioresistant performance and preparation method thereof | 20210517 |
CN-112592958-A | Method for detecting D-2-hydroxyglutarate by using FAD-dependent D-2-hydroxyglutarate dehydrogenase and resazurin | 20201207 |
CN-112408844-A | Gypsum retarder and preparation method and application thereof | 20201204 |
CN-111809068-A | Preparation method of ammonium metavanadate for all-vanadium redox flow battery | 20200908 |
PMID | Publication Date | Title | Journal |
23001033 | 20121101 | Enzyme redesign guided by cancer-derived IDH1 mutations | Nature chemical biology |
20141220 | 20100405 | Metabolomic analysis identifies inflammatory and noninflammatory metabolic effects of genetic modification in a mouse model of Crohn's disease | Journal of proteome research |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.05282342 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 94.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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