dihydroxy(oxo)phosphanium;dihydrochloride

H4Cl2O3P+ — CID 172680217

IUPACdihydroxy(oxo)phosphanium;dihydrochloride
SMILESCl.Cl.O=[P+](O)O
InChIInChI=1S/2ClH.HO3P/c;;1-4(2)3/h2*1H;(H-,1,2,3)/p+1
InChIKeyFEXLGIZVACEKHJ-UHFFFAOYSA-O
MW153.91 g/mol
LogP0.47
Rot. Bonds

About dihydroxy(oxo)phosphanium;dihydrochloride

dihydroxy(oxo)phosphanium;dihydrochloride (PubChem CID 172680217) has the molecular formula H4Cl2O3P+ and a molecular weight of 153.91 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;dihydrochloride.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;dihydrochloride
PubChem CID172680217
Molecular FormulaH4Cl2O3P+
Molecular Weight153.91 g/mol
Exact Mass152.93
IUPAC Namedihydroxy(oxo)phosphanium;dihydrochloride
SMILESCl.Cl.O=[P+](O)O
InChIInChI=1S/2ClH.HO3P/c;;1-4(2)3/h2*1H;(H-,1,2,3)/p+1
InChIKeyFEXLGIZVACEKHJ-UHFFFAOYSA-O
XLogP0.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.91
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;dihydrochloride?
The IUPAC name of dihydroxy(oxo)phosphanium;dihydrochloride (CID 172680217) is dihydroxy(oxo)phosphanium;dihydrochloride.
What is the SMILES notation for dihydroxy(oxo)phosphanium;dihydrochloride?
The canonical SMILES for dihydroxy(oxo)phosphanium;dihydrochloride is Cl.Cl.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;dihydrochloride?
The InChIKey is FEXLGIZVACEKHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/2ClH.HO3P/c;;1-4(2)3/h2*1H;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;dihydrochloride?
dihydroxy(oxo)phosphanium;dihydrochloride has a molecular weight of 153.91 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;dihydrochloride is sourced from PubChem (CID 172680217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).