potassium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate

• ChemBase ID: 106201
• Molecular Formular: C6H7KO7
• Molecular Mass: 230.21388
• Monoisotopic Mass: 229.98288424
• SMILES: [K+].OC(=O)CC(O)(CC(=O)O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(CC(=O)O)(CC(=O)O)O.[K+]
• InChI: InChI=1S/C6H8O7.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1
• InChIKey: WKZJASQVARUVAW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
• IUPAC Traditional name: potassium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate; potassium ion 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
• Synonyms: Potassium citrate monobasic; Potassium dihydrogen citrate hydrate; Potassium Dihydrogen Citrate; Citric Acid, Monopotassium Salt; POTASSIUM CITRATE, MONOBASIC; 柠檬酸二氢钾二水合物

Database IDs

• CAS Number: 866-83-1
• EC Number: 212-753-4
• MDL Number: MFCD00036472
• Beilstein Number: 4772973
• Merck Index: 147624
• PubChem SID: 162089024
• PubChem CID: 23682650

CALCULATED PROPERTIES

• H Donor: 3
• LogD (pH = 5.5): -4.949584
• LogD (pH = 7.4): -9.468992
• Log P: -1.3226875
• Molar Refractivity: 46.461 cm^3
• Polarizability: 14.359511 Å^3
• Polar Surface Area: 134.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 3.0479515
• H Acceptors: 7

PROPERTIES

Physical Property

• Apperance: Powder/ chunks

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• TSCA Listed: 是

Product Information

• Purity: 99% (dry basis)

DETAILS

MP Biomedicals - 02199880

Purity: 99%(dry basis)
Hygroscopic