trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)

C30H34O35Zn3 — CID 173326194

About trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)

trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid) (PubChem CID 173326194) has the molecular formula C30H34O35Zn3 and a molecular weight of 1150.74 g/mol. Its IUPAC name is trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid).

Molecular Properties

• Compound Name: trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)
• PubChem CID: 173326194
• Molecular Formula: C30H34O35Zn3
• Molecular Weight: 1150.74 g/mol
• Exact Mass: 1145.88
• IUPAC Name: trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)
• 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-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Zn+2].[Zn+2].[Zn+2]
• InChI: InChI=1S/5C6H8O7.3Zn/c5*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h5*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;;;3*+2/p-6
• InChIKey: RNLOGNFKRIKNMG-UHFFFAOYSA-H
• XLogP: -14.26
• TPSA: 677.63 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1150.74
LogP ≤ 5	-14.26
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)?

The IUPAC name of trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid) (CID 173326194) is trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid).

What is the SMILES notation for trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)?

The canonical SMILES for trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid) 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-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Zn+2].[Zn+2].[Zn+2].

What is the InChIKey of trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)?

The InChIKey is RNLOGNFKRIKNMG-UHFFFAOYSA-H. The full InChI is InChI=1S/5C6H8O7.3Zn/c5*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h5*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;;;3*+2/p-6.

What are the key properties of trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)?

trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid) has a molecular weight of 1150.74 g/mol, XLogP of -14.26, 25 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid) is sourced from PubChem (CID 173326194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).