tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate

C21H15Fe7O39Si3 — CID 173275966

About tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate

tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate (PubChem CID 173275966) has the molecular formula C21H15Fe7O39Si3 and a molecular weight of 1366.49 g/mol. Its IUPAC name is tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate.

Molecular Properties

• Compound Name: tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate
• PubChem CID: 173275966
• Molecular Formula: C21H15Fe7O39Si3
• Molecular Weight: 1366.49 g/mol
• Exact Mass: 1366.39
• IUPAC Name: tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate
• SMILES: O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
• InChI: InChI=1S/3C6H8O7.3CH2O3.7Fe.3O3Si/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;3*2-1(3)4;;;;;;;;3*1-4(2)3/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*(H2,2,3,4);;;;;;;;;;/q;;;;;;7*+3;3*-2/p-15
• InChIKey: NFIRDTPFJXBPEY-UHFFFAOYSA-A
• XLogP: -31.75
• TPSA: 801.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1366.49
LogP ≤ 5	-31.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate?

The IUPAC name of tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate (CID 173275966) is tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate.

What is the SMILES notation for tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate?

The canonical SMILES for tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].

What is the InChIKey of tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate?

The InChIKey is NFIRDTPFJXBPEY-UHFFFAOYSA-A. The full InChI is InChI=1S/3C6H8O7.3CH2O3.7Fe.3O3Si/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;3*2-1(3)4;;;;;;;;3*1-4(2)3/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*(H2,2,3,4);;;;;;;;;;/q;;;;;;7*+3;3*-2/p-15.

What are the key properties of tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate?

tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate has a molecular weight of 1366.49 g/mol, XLogP of -31.75, 15 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tris(dioxido(oxo)silane);tris(2-hydroxypropane-1,2,3-tricarboxylate);heptakis(iron(3+));tricarbonate is sourced from PubChem (CID 173275966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).