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

O13P4-6 — CID 23419966

IUPAC[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/H6O13P4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/p-6
InChIKeyYDHWWBZFRZWVHO-UHFFFAOYSA-H
MW331.88 g/mol
LogP-4.37
Rot. Bonds6

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

[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate (PubChem CID 23419966) has the molecular formula O13P4-6 and a molecular weight of 331.88 g/mol. Its IUPAC name is [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate.

Molecular Properties

Compound Name[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
PubChem CID23419966
Molecular FormulaO13P4-6
Molecular Weight331.88 g/mol
Exact Mass331.83
IUPAC Name[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/H6O13P4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/p-6
InChIKeyYDHWWBZFRZWVHO-UHFFFAOYSA-H
XLogP-4.37
TPSA234.33 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.88
LogP ≤ 5-4.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

Triphosphate
CID 3440921
Hexametaphosphate
CID 115276
Plutonium (IV) phosphate
CID 129631028
Phosphonato phosphate;bis(tin(4+))
CID 21114714
Thorium(4+) phosphate (3:4)
CID 21475626
[Oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 57418835
Tris(thorium(2+));tetraphosphate
CID 139597912
Cyclodecaphosphate
CID 154734535
Tricalcium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 9890057
CID 18504354
CID 18504354
CID 19009381
CID 19009381
CID 19688890
CID 19688890

Frequently Asked Questions

What is the IUPAC name of [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The IUPAC name of [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate (CID 23419966) is [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate.
What is the SMILES notation for [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The canonical SMILES for [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].
What is the InChIKey of [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The InChIKey is YDHWWBZFRZWVHO-UHFFFAOYSA-H. The full InChI is InChI=1S/H6O13P4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/p-6.
What are the key properties of [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate has a molecular weight of 331.88 g/mol, XLogP of -4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate is sourced from PubChem (CID 23419966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).