hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc

H5O9P3Zn2+2 — CID 174802385

IUPAChydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc
SMILESO=P(O)(O)O.O=[P+](O)O[P+](=O)O.[Zn].[Zn]
InChIInChI=1S/O5P2.H3O4P.2Zn/c1-6(2)5-7(3)4;1-5(2,3)4;;/h;(H3,1,2,3,4);;/p+2
InChIKeyNMHILPQVZMLIGH-UHFFFAOYSA-P
MW372.73 g/mol
LogP-0.63
Rot. Bonds2

About hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc

hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc (PubChem CID 174802385) has the molecular formula H5O9P3Zn2+2 and a molecular weight of 372.73 g/mol. Its IUPAC name is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc.

Molecular Properties

Compound Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc
PubChem CID174802385
Molecular FormulaH5O9P3Zn2+2
Molecular Weight372.73 g/mol
Exact Mass369.77
IUPAC Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc
SMILESO=P(O)(O)O.O=[P+](O)O[P+](=O)O.[Zn].[Zn]
InChIInChI=1S/O5P2.H3O4P.2Zn/c1-6(2)5-7(3)4;1-5(2,3)4;;/h;(H3,1,2,3,4);;/p+2
InChIKeyNMHILPQVZMLIGH-UHFFFAOYSA-P
XLogP-0.63
TPSA161.59 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc?
The IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc (CID 174802385) is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc.
What is the SMILES notation for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc?
The canonical SMILES for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc is O=P(O)(O)O.O=[P+](O)O[P+](=O)O.[Zn].[Zn].
What is the InChIKey of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc?
The InChIKey is NMHILPQVZMLIGH-UHFFFAOYSA-P. The full InChI is InChI=1S/O5P2.H3O4P.2Zn/c1-6(2)5-7(3)4;1-5(2,3)4;;/h;(H3,1,2,3,4);;/p+2.
What are the key properties of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc?
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc has a molecular weight of 372.73 g/mol, XLogP of -0.63, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;phosphoric acid;zinc is sourced from PubChem (CID 174802385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).