potassium 5-carboxy-2,3,4,5-tetrahydroxypentanoate

• ChemBase ID: 102727
• Molecular Formular: C6H9KO8
• Molecular Mass: 248.22916
• Monoisotopic Mass: 247.99344893
• SMILES: [K+].OC(C(O)C(O)C(=O)[O-])C(O)C(=O)O
• Canonical SMILES: OC(C(C(C(C(=O)O)O)O)O)C(=O)[O-].[K+]
• InChI: InChI=1S/C6H10O8.K/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+1/p-1
• InChIKey: UBYZGUWQNIEQMH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 5-carboxy-2,3,4,5-tetrahydroxypentanoate
• IUPAC Traditional name: potassium ion 5-carboxy-2,3,4,5-tetrahydroxypentanoate
• Synonyms: Glucaric acid; Glucosaccharic acid; D-SACCHARIC ACID POTASSIUM SALT; POTASSIUM ACID SACCHARATE

Database IDs

• CAS Number: 576-42-1
• EC Number: 209-402-2
• PubChem SID: 162091228
• PubChem CID: 23700453

CALCULATED PROPERTIES

• Acid pKa: 2.8286042
• H Acceptors: 8
• H Donor: 5
• LogD (pH = 5.5): -7.6667438
• LogD (pH = 7.4): -9.969251
• Log P: -3.0894697
• Molar Refractivity: 48.9755 cm^3
• Polarizability: 15.770015 Å^3
• Polar Surface Area: 158.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: LZ4291900

Product Information

• Purity: ≥99%

DETAILS

MP Biomedicals - 02102832

Potassium Salt
Purity: 99+%
Crystalline

MP Biomedicals - 05217501

MP Biomedicals Rare Chemical collection