magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate

C6H7MgO9P — CID 54697794

IUPACmagnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate
SMILESO=C1OC(C(O)COP(=O)([O-])[O-])C(O)=C1O.[Mg+2]
InChIInChI=1S/C6H9O9P.Mg/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5;/h2,5,7-9H,1H2,(H2,11,12,13);/q;+2/p-2
InChIKeyWRBOSFAEKUWLTJ-UHFFFAOYSA-L
MW278.39 g/mol
LogP-2.94
Rot. Bonds4

About magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate

magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate (PubChem CID 54697794) has the molecular formula C6H7MgO9P and a molecular weight of 278.39 g/mol. Its IUPAC name is magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate.

Molecular Properties

Compound Namemagnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate
PubChem CID54697794
Molecular FormulaC6H7MgO9P
Molecular Weight278.39 g/mol
Exact Mass277.97
IUPAC Namemagnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate
SMILESO=C1OC(C(O)COP(=O)([O-])[O-])C(O)=C1O.[Mg+2]
InChIInChI=1S/C6H9O9P.Mg/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5;/h2,5,7-9H,1H2,(H2,11,12,13);/q;+2/p-2
InChIKeyWRBOSFAEKUWLTJ-UHFFFAOYSA-L
XLogP-2.94
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 ≤ 5-2.94
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 [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate?
The IUPAC name of magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate (CID 54697794) is magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate.
What is the SMILES notation for magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate?
The canonical SMILES for magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate is O=C1OC(C(O)COP(=O)([O-])[O-])C(O)=C1O.[Mg+2].
What is the InChIKey of magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate?
The InChIKey is WRBOSFAEKUWLTJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H9O9P.Mg/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5;/h2,5,7-9H,1H2,(H2,11,12,13);/q;+2/p-2.
What are the key properties of magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate?
magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate has a molecular weight of 278.39 g/mol, XLogP of -2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] phosphate is sourced from PubChem (CID 54697794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).