sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate

• ChemBase ID: 105823
• Molecular Formular: C6H7NaO6
• Molecular Mass: 198.10595
• Monoisotopic Mass: 198.01403223
• SMILES: C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+]
• Canonical SMILES: OC[C@@H]([C@H]1OC(=O)C(=C1[O-])O)O.[Na+]
• InChI: InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1
• InChIKey: PPASLZSBLFJQEF-RXSVEWSESA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate
• IUPAC Traditional name: sodium vitamin-C
• Synonyms: E301; Sodium ascorbate; L(+)-Ascorbic acid sodium salt; Vitamin C sodium salt; (+)-Sodium L-ascorbate; Vitamin C; Monosodium Ascorbate; Ascorbicin; Sodascorbate; L-ASCORBIC ACID SODIUM SALT; L(+)-抗坏血酸 钠盐; 维生素 C 钠盐; L-抗坏血酸钠

Database IDs

• CAS Number: 134-03-2
• EC Number: 205-126-1
• MDL Number: MFCD00082340
• Beilstein Number: 3767246
• PubChem SID: 24890738; 162093117; 24847028; 24891261
• PubChem CID: 23667548
• CHEMBL: 591665
• Wikipedia Title: Sodium_ascorbate

CALCULATED PROPERTIES

• Acid pKa: 4.3599176
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -3.082243
• LogD (pH = 7.4): -4.8322015
• Log P: -1.9135588
• Molar Refractivity: 47.5824 cm^3
• Polarizability: 14.099697 Å^3
• Polar Surface Area: 110.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 62 g/100mL (25 °C) ; 78 g/100 mL (75 °C) in water; Do you have solubility information on this product that you would like to share?; H2O: soluble50 mg/mL; very slightly soluble in alcohol ; insoluble in chloroform, ether
• Apperance: minute white to yellow crystals; powder; white to off-white crystalline
• Melting Point: 218°C (decomp); 220 °C (dec.)(lit.); 220°C (dec.)
• Optical Rotation: [α]20/D +105±2°, c = 5% in H2O; [α]25/D +104°, c = 1 in H2O
• pKa: 7.4-7.7
• Odor: odorless

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: CI7671000
• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%; ≥99%; ≥99.0%; ≥99.0% (NT); 99%
• Grade: SAJ special grade
• Suitability: suitable for cell culture
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤0.2% loss on drying, 110 °C
• Quality Level: PREMIUM
• Product Line: BioReagent; BioXtra
• Empirical Formula (Hill Notation): C6H7NaO6

DETAILS

MP Biomedicals - 02194629

Sodium Salt
Cell Culture Reagent
Purity: 99%

Sigma Aldrich - A4034

Application
Used for preparation of plant extracts; reductant for the isolation of chloroplasts.
Biochem/physiol Actions
Antioxidant

Sigma Aldrich - 11140

Other Notes
Starting material for the synthesis of chiral building blocks1,2,3; L-Ascorbic acid, review4

Sigma Aldrich - A7631

Application
Do you have application information on this product that you would like to share?
Caution
May darken in storage.
Packaging
1 kg in poly bottle
25, 100, 500 g in poly bottle
Biochem/physiol Actions
L-Ascorbic acid (Vitamin C) is a water soluble molecule use in a wide variety of applications, including cell culture, as a reducing agent that helps reduce oxidative stress. L-Ascorbate can be regenerated by biological systems.