Magnesium Ascorbyl Phosphate

Synopsis, Chemistry

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Also known as: 108910-78-7, Ascorbyl monophosphate magnesium salt, Trimagnesium;(2r)-2-[(1s)-1,2-dihydroxyethyl]-3,4-dihydroxy-2h-furan-5-one;diphosphate, Magnesiumascorbylphosphate, Magnesium ascorbyl phosphate (map), Magnlsium-l-ascorbate-alpha-phosphate

Molecular Formula

C₆H₈Mg₃O₁₄P₂

Molecular Weight

438.98 g/mol

InChI Key

HTJNEBVCZXHBNJ-XCTPRCOBSA-H

1 2D Structure

Magnesium Ascorbyl Phosphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate

2.1.2 InChI

InChI=1S/C6H8O6.3Mg.2H3O4P/c7-1-2(8)5-3(9)4(10)6(11)12-5;;;;2*1-5(2,3)4/h2,5,7-10H,1H2;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6/t2-,5+;;;;;/m0...../s1

2.1.3 InChI Key

HTJNEBVCZXHBNJ-XCTPRCOBSA-H

2.1.4 Canonical SMILES

C(C(C1C(=C(C(=O)O1)O)O)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2]

2.1.5 Isomeric SMILES

C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 108910-78-7

2. Ascorbyl Monophosphate Magnesium Salt

3. Trimagnesium;(2r)-2-[(1s)-1,2-dihydroxyethyl]-3,4-dihydroxy-2h-furan-5-one;diphosphate

4. Magnesiumascorbylphosphate

5. Magnesium Ascorbyl Phosphate (map)

6. Magnlsium-l-ascorbate-alpha-phosphate

7. Akos015917968

2.3 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₈Mg₃O₁₄P₂
Molecular Weight	438.98 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	2
Exact Mass	437.8940540 g/mol
Monoisotopic Mass	437.8940540 g/mol
Topological Polar Surface Area	280 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	269
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	6