magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate

C6H7MgO9P — CID 54679072

IUPACmagnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)([O-])[O-].[Mg+2]
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);/q;+2/p-2/t2-,4+;/m0./s1
InChIKeyACFGRWJEQJVZTM-LEJBHHMKSA-L
MW278.39 g/mol
LogP-3.50
Rot. Bonds4

About magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate

magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate (PubChem CID 54679072) has the molecular formula C6H7MgO9P and a molecular weight of 278.39 g/mol. Its IUPAC name is magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate.

Molecular Properties

Compound Namemagnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate
PubChem CID54679072
Molecular FormulaC6H7MgO9P
Molecular Weight278.39 g/mol
Exact Mass277.97
IUPAC Namemagnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)([O-])[O-].[Mg+2]
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);/q;+2/p-2/t2-,4+;/m0./s1
InChIKeyACFGRWJEQJVZTM-LEJBHHMKSA-L
XLogP-3.50
TPSA159.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 5-3.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate?
The IUPAC name of magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate (CID 54679072) is magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate.
What is the SMILES notation for magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate?
The canonical SMILES for magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate is O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate?
The InChIKey is ACFGRWJEQJVZTM-LEJBHHMKSA-L. 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);/q;+2/p-2/t2-,4+;/m0./s1.
What are the key properties of magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate?
magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate has a molecular weight of 278.39 g/mol, XLogP of -3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate is sourced from PubChem (CID 54679072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).