tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium)

C2Cl4Na4O12P4+4 — CID 159071635

IUPACtetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium)
SMILESO=[P+]([O-])OC(Cl)(Cl)O[P+](=O)[O-].O=[P+]([O-])OC(Cl)(Cl)O[P+](=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2CCl2O6P2.4Na/c2*2-1(3,8-10(4)5)9-11(6)7;;;;/q;;4*+1
InChIKeyPIEUAGDKSILMJJ-UHFFFAOYSA-N
MW573.68 g/mol
LogP-11.70
Rot. Bonds8

About tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium)

tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium) (PubChem CID 159071635) has the molecular formula C2Cl4Na4O12P4+4 and a molecular weight of 573.68 g/mol. Its IUPAC name is tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium).

Molecular Properties

Compound Nametetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium)
PubChem CID159071635
Molecular FormulaC2Cl4Na4O12P4+4
Molecular Weight573.68 g/mol
Exact Mass571.67
IUPAC Nametetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium)
SMILESO=[P+]([O-])OC(Cl)(Cl)O[P+](=O)[O-].O=[P+]([O-])OC(Cl)(Cl)O[P+](=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2CCl2O6P2.4Na/c2*2-1(3,8-10(4)5)9-11(6)7;;;;/q;;4*+1
InChIKeyPIEUAGDKSILMJJ-UHFFFAOYSA-N
XLogP-11.70
TPSA197.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.68
LogP ≤ 5-11.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

trisodium;oxido-oxo-phosphooxyphosphanium
CID 158317183
chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium
CID 88679481
potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium
CID 172796390
sodium methoxy-oxido-oxophosphanium
CID 23678289
sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol
CID 88679015
dipotassium;dichloromethane;oxido-oxo-phosphooxyphosphanium
CID 159198248
dichloromethane;hafnium(4+);bis(oxido-oxo-phosphooxyphosphanium)
CID 157120314
dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)
CID 159631897
dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)
CID 138394183
aluminum;sodium;tetrakis(dioxido(oxo)phosphanium)
CID 173111312
(1-amino-2,3-dicarboxy-1-oxopropan-2-yl)oxy-oxido-oxophosphanium
CID 175861254
tris(oxido-oxo-phosphooxyphosphanium);bis(rhodium(3+))
CID 175590921

Frequently Asked Questions

What is the IUPAC name of tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium)?
The IUPAC name of tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium) (CID 159071635) is tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium).
What is the SMILES notation for tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium)?
The canonical SMILES for tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium) is O=[P+]([O-])OC(Cl)(Cl)O[P+](=O)[O-].O=[P+]([O-])OC(Cl)(Cl)O[P+](=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium)?
The InChIKey is PIEUAGDKSILMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2CCl2O6P2.4Na/c2*2-1(3,8-10(4)5)9-11(6)7;;;;/q;;4*+1.
What are the key properties of tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium)?
tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium) has a molecular weight of 573.68 g/mol, XLogP of -11.70, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium bis([dichloro(phosphooxy)methoxy]-oxido-oxophosphanium) is sourced from PubChem (CID 159071635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).