heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)

Al7O48P15 — CID 160593354

About heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)

heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate) (PubChem CID 160593354) has the molecular formula Al7O48P15 and a molecular weight of 1421.44 g/mol. Its IUPAC name is heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate).

Molecular Properties

• Compound Name: heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
• PubChem CID: 160593354
• Molecular Formula: Al7O48P15
• Molecular Weight: 1421.44 g/mol
• Exact Mass: 1421.23
• IUPAC Name: heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
• SMILES: O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3]
• InChI: InChI=1S/7Al.3H7O16P5/c;;;;;;;3*1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h;;;;;;;3*(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)/q7*+3;;;/p-21
• InChIKey: RDHVHXCHNFPXCT-UHFFFAOYSA-A
• XLogP: -17.32
• TPSA: 851.07 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 24
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1421.44
LogP ≤ 5	-17.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)?

The IUPAC name of heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate) (CID 160593354) is heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate).

What is the SMILES notation for heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)?

The canonical SMILES for heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate) is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].

What is the InChIKey of heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)?

The InChIKey is RDHVHXCHNFPXCT-UHFFFAOYSA-A. The full InChI is InChI=1S/7Al.3H7O16P5/c;;;;;;;3*1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h;;;;;;;3*(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)/q7*+3;;;/p-21.

What are the key properties of heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)?

heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate) has a molecular weight of 1421.44 g/mol, XLogP of -17.32, 24 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate) is sourced from PubChem (CID 160593354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).