diammonium 2,3-dihydroxybutanedioate

• ChemBase ID: 107536
• Molecular Formular: C4H12N2O6
• Molecular Mass: 184.14788
• Monoisotopic Mass: 184.06953611
• SMILES: [NH4+].[NH4+].OC(C(O)C(=O)[O-])C(=O)[O-]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/C4H6O6.2H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);2*1H3
• InChIKey: NGPGDYLVALNKEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium 2,3-dihydroxybutanedioate
• IUPAC Traditional name: diammonium tartrate
• Synonyms: AMMONIUM TARTRATE; L-(+)-Tartaric acid diammonium salt; Ammonium tartrate, dibasic; Ammonium L-(+)-tartrate; L-(+)-酒石酸铵

Database IDs

• CAS Number: 3164-29-2
• EC Number: 221-618-9
• MDL Number: MFCD00013073
• Beilstein Number: 6120352
• PubChem SID: 162093249
• PubChem CID: 2724224

CALCULATED PROPERTIES

• Acid pKa: 2.719041
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• Molar Refractivity: 47.8876 cm^3
• Polarizability: 10.630576 Å^3
• Polar Surface Area: 120.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water, alcohol
• Apperance: Crystalline
• Density: 1.6

Safety Information

• Storage Warning: Hygroscopic
• RTECS: WW8050000
• Risk Statements: 52/53
• Safety Statements: 61
• TSCA Listed: 是
• GHS Hazard statements: H402-H412
• GHS Precautionary statements: P273-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05204097

MP Biomedicals Rare Chemical collection