trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate

• ChemBase ID: 102744
• Molecular Formular: C6H9Na3O9
• Molecular Mass: 294.09957
• Monoisotopic Mass: 293.99396471
• SMILES: O.O.[Na+].[Na+].[Na+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/C6H8O7.3Na.2H2O/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);;;;2*1H2/q;3*+1;;/p-3
• InChIKey: NLJMYIDDQXHKNR-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate
• IUPAC Traditional name: tripotassium citrate dihydrate; trisodium citrate dihydrate
• Synonyms: Sodium citrate tribasic dihydrate; Trisodium citrate dihydrate; CITRIC ACID TRISODIUM SALT DIHYDRATE; Citric acid trisodium salt dihydrate; Sodium citrate dihydrate; Trisodium citrate dihydrate, ACS; Natrii citras; Trisodium citrate dihydrate; Sodium citrate tribasic dihydrate; SODIUM CITRATE TRISODIUM SALT DIHYDRATE ACS REAGENT GRADE; Citric Acid, Trisodium Salt Dihydrate; Citronensaeure-tri-na-salz-dihydrat; Natriumcitrat-Dihydrat; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate; SODIUM CITRATE DIHYDRATE, USP; 柠檬酸钠二水合物; 柠檬酸三钠二水合物, ACS; 枸橼酸钠; 柠檬酸钠 二水合物; 柠檬酸 三钠盐 二水合物; 柠檬酸三钠 二水合物; 柠檬酸钠 二水合物

Database IDs

• CAS Number: 6132-04-3
• EC Number: 200-675-3
• MDL Number: MFCD00150031
• Beilstein Number: 6104939
• Merck Index: 148602
• PubChem SID: 24899497; 24901436; 24892286; 24886189; 24893068; 24859227; 162089060; 24892947; 24855112; 24899613; 24892616
• PubChem CID: 71474
• FEMA ID: 3026

CALCULATED PROPERTIES

• Acid pKa: 3.0479515
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -4.949584
• LogD (pH = 7.4): -9.468992
• Log P: -1.3226875
• Molar Refractivity: 68.1352 cm^3
• Polarizability: 14.119506 Å^3
• Polar Surface Area: 140.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 M at 20 °C, clear, colorless; H2O: soluble100 mg/mL; Soluble in water. Insoluble in alcohol
• Apperance: Crystalline; white powder
• Melting Point: > 300°C; >300 °C(lit.); 150°C -2H{2}O
• Density: 1.76
• Absorption Wavelength: A/280 ≤0.010; A0.1M/260, H2O ≤0.010; λ: 260 nm Amax: ≤0.010; λ: 260 nm Amax: 0.01; λ: 260 nm Amax: 0.010; λ: 280 nm Amax: ≤0.010; λ: 280 nm Amax: 0.01; λ: 280 nm Amax: 0.010
• pH: 7.0-9.0 (25 °C, 5% in solution); 7.0-9.0 (25 °C, 50 mg/mL in H2O); 7.5-9.0 (20 °C, 0.1 M in H2O); 7.5-9.0 (20 °C, 5%); 7.5-9.0 (25 °C, 0.1 M in H2O); 7.5-9.0 (25 °C, 1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 1
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; ≥98%; ≥98% (titration); ≥99%; ≥99.0%; ≥99.0% (NT); ≥99.0% (titration); ≥99.5%; ≥99.5% (NT); 99%; 99.0% min; 99-100.5% (calc. to the dried substance)
• Grade: ACS; ACS reagent; ACS reagent, reag. ISO, reag. Ph. Eur.; eluent additive for LC-MS; FG; for luminescence; for molecular biology; Halal; JIS special grade; Kosher; Ph Eur; puriss.; puriss. p.a.; purum p.a.; REAGENT; SAJ first grade; USP
• Suitability: alkaline for reaction against litmus; complies for appearance of solution; complies for reaction against H2SO4; in accordance for LC-MS; in accordance for luminescence; insect cell culture tested; meets USP testing specifications; suitable for amino acid analysis
• Impurities: ≤0.0005% heavy metals (as Pb); ≤0.001% total nitrogen (N); ≤0.003% Ammonia (NH3); ≤0.003% NH3; ≤0.005% Insoluble matter; ≤0.005% insolubles; ≤0.04% free alkali (as NaOH); ≤0.06% free acid (as C6H8O7); 11.0-13.0 water (Karl Fischer); 11-13% Water (Karl Fischer); 11-13% water (Karl Fischer); 11-13% water (KFT); acidity or alkalinity, complies; DNases, none detected; Insoluble matter, passes filter test; insoluble matter, passes filter test; phosphatases, none detected; proteases, none detected; Residual solvent, in accordance; RNases, none detected
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.00001%; As: ≤0.1 mg/kg; As: ≤1 mg/kg; Ba: ≤0.0005%; Ba: ≤5 mg/kg; Bi: ≤0.0005%; Bi: ≤5 mg/kg; Ca: ≤0.005%; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤0.0005%; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤0.0005%; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤0.0005%; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤10 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 ppm; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; heavy metals: ≤5 ppm; Hg: ≤1 mg/kg; K: ≤0.01%; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤0.0005%; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤0.0005%; Mn: ≤5 mg/kg; Mo: ≤0.0005%; Mo: ≤5 mg/kg; NH4+: ≤0.001%; NH4+: ≤10 mg/kg; Ni: ≤0.0005%; Ni: ≤5 mg/kg; Ni: ≤5 mg/L; Ni: ≤50 mg/kg; Pb: ≤0.0005%; Pb: ≤1 mg/kg; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤10 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤0.003%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤30 mg/kg; chloride (Cl-): ≤50 mg/kg; oxalate (as oxalic acid): ≤100 mg/kg; oxalate (C2O42-): ≤200 mg/kg; phosphate (PO43-): ≤20 mg/kg; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤10 mg/kg; sulfate (SO42-): ≤50 mg/kg; tartrate (C4H4O62-): in accordance
• Shelf Life: (limited shelf life, expiry date on the label)
• Loss on Drying: 11-13% loss on drying, 180 °C, 18 h
• pH Range: 7.0 - 9.0
• Quality Level: PREMIUM
• Quality: meets analytical specification of Ph. Eur., BP, USP, FCC, E331
• λ: 0.1 M in H2O
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Product Line: BioUltra
• Linear Formula: HOC(COONa)(CH2COONa)2 · 2H2O

DETAILS

MP Biomedicals - 02194868

Trisodium Salt
Dihydrate
ACS Reagent Grade
Purity: >99%

MP Biomedicals - 02102900

Trisodium Salt
Crystalline
Dihydrate

Sigma Aldrich - 71402

Other Notes
Buffer component in the preparation of total ribosomal RNA from E. coli1.

Sigma Aldrich - W302600

Packaging
1 kg in poly bottle
1 sample in glass bottle
10, 25 kg in fiber drum

Sigma Aldrich - 71404

Other Notes
Substrate for citrate lyase (EC 4.1.3.6)1; Anticoagulant2,3

Sigma Aldrich - S4641

包装
1, 6×1 kg in poly bottle
25, 500 g in poly bottle
5 kg in poly drum

Sigma Aldrich - C3434

Biochem/physiol Actions
Sodium citrate can act as a buffering agent, resisting changes in pH. Used in blood collection tubes, the citrate chelates calcium ions in blood and thereby disrupts blood clotting. Citrate is a intermediate in the TCA cycle and fatty acid synthesis. Citrate is an allosteric modulator of acetyl-CoA carboxylase, the enzyme that regulates the conversion of acetyl-CoA to malonyl-CoA.

Sigma Aldrich - S1804

Biochem/physiol Actions
Citrate is a intermediate in the TCA cycle and fatty acid synthesis. Citrate is an allosteric modulator of acetyl-CoA carboxylase, the enzyme that regulates the conversion of acetyl-CoA to malonyl-CoA.

Sigma Aldrich - C8532

包装
1 kg in poly bottle
100, 500 g in poly bottle
5, 10 kg in poly drum