trimagnesium(2+) ion bis((2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-(phosphonatooxy)-2,5-dihydrofuran-3-olate) hydrate

• ChemBase ID: 132719
• Molecular Formular: C12H14Mg3O19P2
• Molecular Mass: 597.090682
• Monoisotopic Mass: 595.91557659
• SMILES: C([C@@H]([C@@H]1C(=C(C(=O)O1)OP(=O)([O-])[O-])[O-])O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)OP(=O)([O-])[O-])[O-])O)O.O.[Mg+2].[Mg+2].[Mg+2]
• Canonical SMILES: OC[C@@H]([C@H]1OC(=O)C(=C1[O-])OP(=O)([O-])[O-])O.OC[C@@H]([C@H]1OC(=O)C(=C1[O-])OP(=O)([O-])[O-])O.O.[Mg+2].[Mg+2].[Mg+2]
• InChI: InChI=1S/2C6H9O9P.3Mg.H2O/c2*7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;;/h2*2,4,7-9H,1H2,(H2,11,12,13);;;;1H2/q;;3*+2;/p-6/t2*2-,4+;;;;/m00..../s1
• InChIKey: HKRNHMZODRSAPN-IXNKEUJHSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: trimagnesium(2+) ion bis((2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-(phosphonatooxy)-2,5-dihydrofuran-3-olate) hydrate
• IUPAC Traditional name: trimagnesium(2+) ion bis((2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-(phosphonatooxy)-2H-furan-3-olate) hydrate
• Synonyms: L-Ascorbic acid 2-phosphate sesquimagnesium salt hydrate

Database IDs

• CAS Number: 113170-55-1(anhydrous)
• PubChem SID: 162226996
• PubChem CID: 71308590

CALCULATED PROPERTIES

• Acid pKa: 0.8142348
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -6.592972
• LogD (pH = 7.4): -9.278618
• Log P: -2.567424
• Molar Refractivity: 56.2119 cm^3
• Polarizability: 18.509228 Å^3
• Polar Surface Area: 162.24 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Do you have solubility information on this product that you would like to share?

Safety Information

• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95%

DETAILS

Sigma Aldrich - A8960

Frequently Asked Questions
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Application
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Biochem/physiol Actions
L-Ascorbic acid 2-phosphate (AA2P) is used in biocatalytic dephosphorylation for electric power generation and electrochemical detection assays. L-Ascorbic acid 2-phosphate may be used in cell differentiation and tissue engineering applications. Asc-2P is used in studies of gene repression, such as the repression of dihydrotestosterone-induced dickkopf-1 expression.