phosphono dihydrogen phosphate;zinc

H4O7P2Zn — CID 159712525

IUPACphosphono dihydrogen phosphate;zinc
SMILESO=P(O)(O)OP(=O)(O)O.[Zn]
InChIInChI=1S/H4O7P2.Zn/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);
InChIKeyMZAGDLUUYJDJTE-UHFFFAOYSA-N
MW243.36 g/mol
LogP-0.81
Rot. Bonds2

About phosphono dihydrogen phosphate;zinc

phosphono dihydrogen phosphate;zinc (PubChem CID 159712525) has the molecular formula H4O7P2Zn and a molecular weight of 243.36 g/mol. Its IUPAC name is phosphono dihydrogen phosphate;zinc.

Molecular Properties

Compound Namephosphono dihydrogen phosphate;zinc
PubChem CID159712525
Molecular FormulaH4O7P2Zn
Molecular Weight243.36 g/mol
Exact Mass241.87
IUPAC Namephosphono dihydrogen phosphate;zinc
SMILESO=P(O)(O)OP(=O)(O)O.[Zn]
InChIInChI=1S/H4O7P2.Zn/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);
InChIKeyMZAGDLUUYJDJTE-UHFFFAOYSA-N
XLogP-0.81
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phosphono dihydrogen phosphate;zinc with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phosphono dihydrogen phosphate;zinc?
The IUPAC name of phosphono dihydrogen phosphate;zinc (CID 159712525) is phosphono dihydrogen phosphate;zinc.
What is the SMILES notation for phosphono dihydrogen phosphate;zinc?
The canonical SMILES for phosphono dihydrogen phosphate;zinc is O=P(O)(O)OP(=O)(O)O.[Zn].
What is the InChIKey of phosphono dihydrogen phosphate;zinc?
The InChIKey is MZAGDLUUYJDJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/H4O7P2.Zn/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);.
What are the key properties of phosphono dihydrogen phosphate;zinc?
phosphono dihydrogen phosphate;zinc has a molecular weight of 243.36 g/mol, XLogP of -0.81, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono dihydrogen phosphate;zinc is sourced from PubChem (CID 159712525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).