(5S)-5-[(1R)-1,2-dihydroxyethyl]-4-[({[(2S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl]oxy}magnesio)oxy]-3-hydroxy-2,5-dihydrofuran-2-one

• ChemBase ID: 155995
• Molecular Formular: C12H14MgO12
• Molecular Mass: 374.53736
• Monoisotopic Mass: 374.03356759
• SMILES: C([C@H]([C@H]1C(=C(C(=O)O1)O)O[Mg]OC1=C(C(=O)O[C@H]1[C@@H](CO)O)O)O)O
• Canonical SMILES: OC[C@H]([C@@H]1OC(=O)C(=C1O[Mg]OC1=C(O)C(=O)O[C@H]1[C@@H](CO)O)O)O
• InChI: InChI=1S/2C6H8O6.Mg/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m11./s1
• InChIKey: AIOKQVJVNPDJKA-GVKKNTFRSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-5-[(1R)-1,2-dihydroxyethyl]-4-[({[(2S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl]oxy}magnesio)oxy]-3-hydroxy-2,5-dihydrofuran-2-one
• IUPAC Traditional name: (5S)-5-[(1R)-1,2-dihydroxyethyl]-4-[({[(2S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy}magnesio)oxy]-3-hydroxy-5H-furan-2-one
• Synonyms: L(+)-Ascorbic acid magnesium salt; Vitamin C magnesium salt; (+)-Magnesium L-ascorbate; 维生素 C 镁盐

Database IDs

• CAS Number: 15431-40-0
• EC Number: 239-442-6
• MDL Number: MFCD00137683
• Beilstein Number: 3767527
• PubChem SID: 162250133; 24889992
• PubChem CID: 71312253

CALCULATED PROPERTIES

• Acid pKa: 9.004693
• H Acceptors: 10
• H Donor: 6
• LogD (pH = 5.5): -5.2583356
• LogD (pH = 7.4): -5.268916
• Log P: -5.2582
• Molar Refractivity: 71.6354 cm^3
• Polarizability: 30.28402 Å^3
• Polar Surface Area: 192.44 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥90% (T)
• Empirical Formula (Hill Notation): C12H14MgO12

DETAILS

Sigma Aldrich - 94417

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.