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)

C36H48Mg3O54P6 — CID 172741152

IUPACtrimagnesium;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)
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.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-].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]
InChIInChI=1S/6C6H9O9P.3Mg/c6*7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h6*2,4,7-9H,1H2,(H2,11,12,13);;;/q;;;;;;3*+2/p-6/t6*2-,4+;;;/m000000.../s1
InChIKeyJCUALBCUIPQRGI-YTQCUDPKSA-H
MW1603.49 g/mol
LogP-16.07
Rot. Bonds24

About 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)

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) (PubChem CID 172741152) has the molecular formula C36H48Mg3O54P6 and a molecular weight of 1603.49 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Nametrimagnesium;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)
PubChem CID172741152
Molecular FormulaC36H48Mg3O54P6
Molecular Weight1603.49 g/mol
Exact Mass1601.90
IUPAC Nametrimagnesium;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)
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.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-].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]
InChIInChI=1S/6C6H9O9P.3Mg/c6*7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h6*2,4,7-9H,1H2,(H2,11,12,13);;;/q;;;;;;3*+2/p-6/t6*2-,4+;;;/m000000.../s1
InChIKeyJCUALBCUIPQRGI-YTQCUDPKSA-H
XLogP-16.07
TPSA939.48 Ų
H-Bond Donors24
H-Bond Acceptors48
Rotatable Bonds24
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.49
LogP ≤ 5-16.07
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 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) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) 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.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-].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;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)?
The InChIKey is JCUALBCUIPQRGI-YTQCUDPKSA-H. The full InChI is InChI=1S/6C6H9O9P.3Mg/c6*7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h6*2,4,7-9H,1H2,(H2,11,12,13);;;/q;;;;;;3*+2/p-6/t6*2-,4+;;;/m000000.../s1.
What are the key properties of 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)?
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) has a molecular weight of 1603.49 g/mol, XLogP of -16.07, 24 rotatable bonds, 24 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 172741152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).