magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate

C6H9MgO8P — CID 171699785

IUPACmagnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate
SMILESO.O=C1C=C[C@@H]([C@@H](O)COP(=O)([O-])[O-])O1.[Mg+2]
InChIInChI=1S/C6H9O7P.Mg.H2O/c7-4(3-12-14(9,10)11)5-1-2-6(8)13-5;;/h1-2,4-5,7H,3H2,(H2,9,10,11);;1H2/q;+2;/p-2/t4-,5-;;/m0../s1
InChIKeyZVYHKPQSXPZDGP-RSLHMRQOSA-L
MW264.41 g/mol
LogP-3.53
Rot. Bonds4

About magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate

magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate (PubChem CID 171699785) has the molecular formula C6H9MgO8P and a molecular weight of 264.41 g/mol. Its IUPAC name is magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate.

Molecular Properties

Compound Namemagnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate
PubChem CID171699785
Molecular FormulaC6H9MgO8P
Molecular Weight264.41 g/mol
Exact Mass263.99
IUPAC Namemagnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate
SMILESO.O=C1C=C[C@@H]([C@@H](O)COP(=O)([O-])[O-])O1.[Mg+2]
InChIInChI=1S/C6H9O7P.Mg.H2O/c7-4(3-12-14(9,10)11)5-1-2-6(8)13-5;;/h1-2,4-5,7H,3H2,(H2,9,10,11);;1H2/q;+2;/p-2/t4-,5-;;/m0../s1
InChIKeyZVYHKPQSXPZDGP-RSLHMRQOSA-L
XLogP-3.53
TPSA150.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 5-3.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate?
The IUPAC name of magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate (CID 171699785) is magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate.
What is the SMILES notation for magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate?
The canonical SMILES for magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate is O.O=C1C=C[C@@H]([C@@H](O)COP(=O)([O-])[O-])O1.[Mg+2].
What is the InChIKey of magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate?
The InChIKey is ZVYHKPQSXPZDGP-RSLHMRQOSA-L. The full InChI is InChI=1S/C6H9O7P.Mg.H2O/c7-4(3-12-14(9,10)11)5-1-2-6(8)13-5;;/h1-2,4-5,7H,3H2,(H2,9,10,11);;1H2/q;+2;/p-2/t4-,5-;;/m0../s1.
What are the key properties of magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate?
magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate has a molecular weight of 264.41 g/mol, XLogP of -3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;[(2S)-2-hydroxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] phosphate;hydrate is sourced from PubChem (CID 171699785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).