sodium phosphono dihydrogen phosphate

H4NaO7P2+ — CID 22630756

IUPACsodium phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.[Na+]
InChIInChI=1S/Na.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;
InChIKeyYIVJSMIYMAOVSJ-UHFFFAOYSA-N
MW200.96 g/mol
LogP-3.81
Rot. Bonds2

About sodium phosphono dihydrogen phosphate

sodium phosphono dihydrogen phosphate (PubChem CID 22630756) has the molecular formula H4NaO7P2+ and a molecular weight of 200.96 g/mol. Its IUPAC name is sodium phosphono dihydrogen phosphate.

Molecular Properties

Compound Namesodium phosphono dihydrogen phosphate
PubChem CID22630756
Molecular FormulaH4NaO7P2+
Molecular Weight200.96 g/mol
Exact Mass200.93
IUPAC Namesodium phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.[Na+]
InChIInChI=1S/Na.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;
InChIKeyYIVJSMIYMAOVSJ-UHFFFAOYSA-N
XLogP-3.81
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.96
LogP ≤ 5-3.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium phosphono dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrophosphoric acid
CID 1023
Sodium Phosphate, Monobasic, Dihydrate
CID 23673460
Sodium Phosphate, Monobasic, Monohydrate
CID 516949
Hydron;phosphono phosphate
CID 173008659
H5NaO10P3
CID 16220030
H5NaO5P
CID 6335832
Pyrophosphorsaure
CID 16160854
Sodium hypophosphite dihydrate
CID 23716569
Sodium pyrophosphate anhydrous
CID 24186924
CID 145776193
CID 145776193
Tetraphosphoric acid,sodium salt (1:)
CID 156595361
CID 157485164
CID 157485164

Frequently Asked Questions

What is the IUPAC name of sodium phosphono dihydrogen phosphate?
The IUPAC name of sodium phosphono dihydrogen phosphate (CID 22630756) is sodium phosphono dihydrogen phosphate.
What is the SMILES notation for sodium phosphono dihydrogen phosphate?
The canonical SMILES for sodium phosphono dihydrogen phosphate is O=P(O)(O)OP(=O)(O)O.[Na+].
What is the InChIKey of sodium phosphono dihydrogen phosphate?
The InChIKey is YIVJSMIYMAOVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/Na.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+1;.
What are the key properties of sodium phosphono dihydrogen phosphate?
sodium phosphono dihydrogen phosphate has a molecular weight of 200.96 g/mol, XLogP of -3.81, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium phosphono dihydrogen phosphate is sourced from PubChem (CID 22630756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).