[oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate

O16P5-7 — CID 57418835

IUPAC[oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/H7O16P5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)/p-7
InChIKeyQTPILKSJIOLICA-UHFFFAOYSA-G
MW410.85 g/mol
LogP-4.88
Rot. Bonds8

About [oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate

[oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate (PubChem CID 57418835) has the molecular formula O16P5-7 and a molecular weight of 410.85 g/mol. Its IUPAC name is [oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate.

Molecular Properties

Compound Name[oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
PubChem CID57418835
Molecular FormulaO16P5-7
Molecular Weight410.85 g/mol
Exact Mass410.79
IUPAC Name[oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/H7O16P5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)/p-7
InChIKeyQTPILKSJIOLICA-UHFFFAOYSA-G
XLogP-4.88
TPSA283.69 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 5-4.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
The IUPAC name of [oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate (CID 57418835) is [oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate.
What is the SMILES notation for [oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
The canonical SMILES for [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-].
What is the InChIKey of [oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
The InChIKey is QTPILKSJIOLICA-UHFFFAOYSA-G. The full InChI is InChI=1S/H7O16P5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)/p-7.
What are the key properties of [oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
[oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate has a molecular weight of 410.85 g/mol, XLogP of -4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate is sourced from PubChem (CID 57418835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).