trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate)

C12H12Mg3O18P2 — CID 71587428

IUPACtrimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate)
SMILESO=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)([O-])[O-].O=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H9O9P.3Mg/c2*7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2*2,4,7-9H,1H2,(H2,11,12,13);;;/q;;3*+2/p-6/t2*2-,4+;;;/m00.../s1
InChIKeyPBSRSWFGYPZDAU-FFIPNUABSA-H
MW579.07 g/mol
LogP-9.78
Rot. Bonds8

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

trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate) (PubChem CID 71587428) has the molecular formula C12H12Mg3O18P2 and a molecular weight of 579.07 g/mol. Its IUPAC name is trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate).

Molecular Properties

Compound Nametrimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate)
PubChem CID71587428
Molecular FormulaC12H12Mg3O18P2
Molecular Weight579.07 g/mol
Exact Mass577.91
IUPAC Nametrimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate)
SMILESO=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)([O-])[O-].O=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H9O9P.3Mg/c2*7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2*2,4,7-9H,1H2,(H2,11,12,13);;;/q;;3*+2/p-6/t2*2-,4+;;;/m00.../s1
InChIKeyPBSRSWFGYPZDAU-FFIPNUABSA-H
XLogP-9.78
TPSA324.48 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.07
LogP ≤ 5-9.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate)?
The IUPAC name of trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate) (CID 71587428) is trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate).
What is the SMILES notation for trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate)?
The canonical SMILES for trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate) is O=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)([O-])[O-].O=C1O[C@H]([C@@H](O)CO)C([O-])=C1OP(=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate)?
The InChIKey is PBSRSWFGYPZDAU-FFIPNUABSA-H. The full InChI is InChI=1S/2C6H9O9P.3Mg/c2*7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2*2,4,7-9H,1H2,(H2,11,12,13);;;/q;;3*+2/p-6/t2*2-,4+;;;/m00.../s1.
What are the key properties of trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate)?
trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate) has a molecular weight of 579.07 g/mol, XLogP of -9.78, 8 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium bis([(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-oxido-5-oxo-2H-furan-4-yl] phosphate) is sourced from PubChem (CID 71587428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).