sodium phosphonooxy hydrogen phosphate

H3NaO8P2 — CID 159276907

IUPACsodium phosphonooxy hydrogen phosphate
SMILESO=P([O-])(O)OOP(=O)(O)O.[Na+]
InChIInChI=1S/Na.H4O8P2/c;1-9(2,3)7-8-10(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;/p-1
InChIKeyKYKQNQCQBFHEKJ-UHFFFAOYSA-M
MW215.95 g/mol
LogP-4.51
Rot. Bonds3

About sodium phosphonooxy hydrogen phosphate

sodium phosphonooxy hydrogen phosphate (PubChem CID 159276907) has the molecular formula H3NaO8P2 and a molecular weight of 215.95 g/mol. Its IUPAC name is sodium phosphonooxy hydrogen phosphate.

Molecular Properties

Compound Namesodium phosphonooxy hydrogen phosphate
PubChem CID159276907
Molecular FormulaH3NaO8P2
Molecular Weight215.95 g/mol
Exact Mass215.92
IUPAC Namesodium phosphonooxy hydrogen phosphate
SMILESO=P([O-])(O)OOP(=O)(O)O.[Na+]
InChIInChI=1S/Na.H4O8P2/c;1-9(2,3)7-8-10(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;/p-1
InChIKeyKYKQNQCQBFHEKJ-UHFFFAOYSA-M
XLogP-4.51
TPSA136.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.95
LogP ≤ 5-4.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tetrasodium;hydride;phosphonooxy dihydrogen phosphate
CID 173345146
diazanium;oxido hydrogen phosphate
CID 11491954
azanium;sodium;hydrogen phosphate;tetrahydrate
CID 56924540
sodium amino hydrogen phosphate
CID 175411495
phosphono phosphate
CID 57345951
sodium;azane;phosphono hydrogen phosphate;tetrahydrate
CID 174651313
sodium dihydroxy(32P)phosphinate
CID 23694678
chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
CID 175898917
potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride
CID 174949441
cesium phosphono hydrogen phosphate
CID 160778064
disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
CID 173017843
manganese(2+);phosphono phosphate
CID 138395841

Frequently Asked Questions

What is the IUPAC name of sodium phosphonooxy hydrogen phosphate?
The IUPAC name of sodium phosphonooxy hydrogen phosphate (CID 159276907) is sodium phosphonooxy hydrogen phosphate.
What is the SMILES notation for sodium phosphonooxy hydrogen phosphate?
The canonical SMILES for sodium phosphonooxy hydrogen phosphate is O=P([O-])(O)OOP(=O)(O)O.[Na+].
What is the InChIKey of sodium phosphonooxy hydrogen phosphate?
The InChIKey is KYKQNQCQBFHEKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H4O8P2/c;1-9(2,3)7-8-10(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;/p-1.
What are the key properties of sodium phosphonooxy hydrogen phosphate?
sodium phosphonooxy hydrogen phosphate has a molecular weight of 215.95 g/mol, XLogP of -4.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium phosphonooxy hydrogen phosphate is sourced from PubChem (CID 159276907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).