phosphono phosphate

H2O7P2-2 — CID 57345951

IUPACphosphono phosphate
SMILESO=P([O-])([O-])OP(=O)(O)O
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
MW175.96 g/mol
LogP-2.08
Rot. Bonds2

About phosphono phosphate

phosphono phosphate (PubChem CID 57345951) has the molecular formula H2O7P2-2 and a molecular weight of 175.96 g/mol. Its IUPAC name is phosphono phosphate.

Molecular Properties

Compound Namephosphono phosphate
PubChem CID57345951
Molecular FormulaH2O7P2-2
Molecular Weight175.96 g/mol
Exact Mass175.93
IUPAC Namephosphono phosphate
SMILESO=P([O-])([O-])OP(=O)(O)O
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
XLogP-2.08
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.96
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

manganese(2+);phosphono phosphate
CID 138395841
disodium;phosphono dihydrogen phosphate;phosphono phosphate
CID 173430814
disodium;ethane;phosphono phosphate
CID 19985246
magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate
CID 175387315
copper;phosphono phosphate;sulfuric acid
CID 175344520
chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
CID 175898917
pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 160515534
disodium;iron(2+);phosphonato phosphate;phosphoric acid
CID 175805156
sodium;azane;phosphono hydrogen phosphate;tetrahydrate
CID 174651313
phosphonato phosphate
CID 644102
cesium phosphono hydrogen phosphate
CID 160778064
trisodium;[hydroxy(oxido)phosphoryl] phosphate;dodecahydrate
CID 158298234

Frequently Asked Questions

What is the IUPAC name of phosphono phosphate?
The IUPAC name of phosphono phosphate (CID 57345951) is phosphono phosphate.
What is the SMILES notation for phosphono phosphate?
The canonical SMILES for phosphono phosphate is O=P([O-])([O-])OP(=O)(O)O.
What is the InChIKey of phosphono phosphate?
The InChIKey is XPPKVPWEQAFLFU-UHFFFAOYSA-L. The full InChI is InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2.
What are the key properties of phosphono phosphate?
phosphono phosphate has a molecular weight of 175.96 g/mol, XLogP of -2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono phosphate is sourced from PubChem (CID 57345951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).