9004-54-0 Purity
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Specification
The molecular formula of L-Ascorbic acid phosphate magnesium salt is C6H8Mg3O14P2.
The synonyms of L-Ascorbic acid phosphate magnesium salt include ascorbyl monophosphate magnesium salt, L-ascorbic acid phosphate magnesium salt, and trimagnesium.
The molecular weight of L-Ascorbic acid phosphate magnesium salt is 438.98 g/mol.
The component compounds of L-Ascorbic acid phosphate magnesium salt are ascorbic acid (CID 54670067), phosphoric acid (CID 1004), and magnesium (CID 5462224).
L-Ascorbic acid phosphate magnesium salt was created on December 26, 2011, and last modified on December 30, 2023.
The IUPAC name of L-Ascorbic acid phosphate magnesium salt is trimagnesium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate.
The InChI of L-Ascorbic acid phosphate magnesium salt is 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.
The InChIKey of L-Ascorbic acid phosphate magnesium salt is HTJNEBVCZXHBNJ-XCTPRCOBSA-H.
The canonical SMILES representation of L-Ascorbic acid phosphate magnesium salt is 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].
The computed properties of L-Ascorbic acid phosphate magnesium salt include 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 ?2), 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), and compound is canonicalized (Yes).