l-ascorbic acid-2-phosphate magnesium salt

C6H9MgO9P — CID 54710612

IUPAC—
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O.[Mg]
InChIInChI=1S/C6H9O9P.Mg/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h2,4,7-9H,1H2,(H2,11,12,13);/t2-,4+;/m0./s1
InChIKeyXYWDYAVMJYSSSG-LEJBHHMKSA-N
MW280.41 g/mol
LogP-2.24
Rot. Bonds4

About l-ascorbic acid-2-phosphate magnesium salt

l-ascorbic acid-2-phosphate magnesium salt (PubChem CID 54710612) has the molecular formula C6H9MgO9P and a molecular weight of 280.41 g/mol.

Molecular Properties

Compound Namel-ascorbic acid-2-phosphate magnesium salt
PubChem CID54710612
Molecular FormulaC6H9MgO9P
Molecular Weight280.41 g/mol
Exact Mass279.98
IUPAC Name—
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O.[Mg]
InChIInChI=1S/C6H9O9P.Mg/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h2,4,7-9H,1H2,(H2,11,12,13);/t2-,4+;/m0./s1
InChIKeyXYWDYAVMJYSSSG-LEJBHHMKSA-N
XLogP-2.24
TPSA153.75 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-2.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 172873209
CID 172873209
[(2R)-2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 54690328
[2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 130404672
trimagnesium;tris([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate);tris([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate)
CID 172741152
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
CID 165356355
sodium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
CID 54740887
[(2S)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-phosphonooxy-2H-furan-2-yl]ethyl] dihydrogen phosphate
CID 101026810
potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-phosphonooxy-2H-furan-3-olate
CID 141096159
(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid
CID 174800617
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate
CID 118281516
sodium 2-(1,2-dihydroxyethyl)-5-oxo-3-phosphonooxy-2H-furan-4-olate
CID 101209518
[(2S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfate
CID 90473291

Frequently Asked Questions

What is the IUPAC name of l-ascorbic acid-2-phosphate magnesium salt?
The IUPAC name of l-ascorbic acid-2-phosphate magnesium salt (CID 54710612) is not available.
What is the SMILES notation for l-ascorbic acid-2-phosphate magnesium salt?
The canonical SMILES for l-ascorbic acid-2-phosphate magnesium salt is O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O.[Mg].
What is the InChIKey of l-ascorbic acid-2-phosphate magnesium salt?
The InChIKey is XYWDYAVMJYSSSG-LEJBHHMKSA-N. The full InChI is InChI=1S/C6H9O9P.Mg/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h2,4,7-9H,1H2,(H2,11,12,13);/t2-,4+;/m0./s1.
What are the key properties of l-ascorbic acid-2-phosphate magnesium salt?
l-ascorbic acid-2-phosphate magnesium salt has a molecular weight of 280.41 g/mol, XLogP of -2.24, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for l-ascorbic acid-2-phosphate magnesium salt is sourced from PubChem (CID 54710612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).