sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol

C2H4Cl3NaO6P2+2 — CID 88679015

IUPACsodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol
SMILESO=[P+]([O-])O[P+](=O)O.OCC(Cl)(Cl)Cl.[Na+]
InChIInChI=1S/C2H3Cl3O.Na.O5P2/c3-2(4,5)1-6;;1-6(2)5-7(3)4/h6H,1H2;;/q;+1;/p+1
InChIKeyLDLVBEJDIJPSKQ-UHFFFAOYSA-O
MW315.35 g/mol
LogP-1.98
Rot. Bonds2

About sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol

sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol (PubChem CID 88679015) has the molecular formula C2H4Cl3NaO6P2+2 and a molecular weight of 315.35 g/mol. Its IUPAC name is sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol.

Molecular Properties

Compound Namesodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol
PubChem CID88679015
Molecular FormulaC2H4Cl3NaO6P2+2
Molecular Weight315.35 g/mol
Exact Mass313.84
IUPAC Namesodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol
SMILESO=[P+]([O-])O[P+](=O)O.OCC(Cl)(Cl)Cl.[Na+]
InChIInChI=1S/C2H3Cl3O.Na.O5P2/c3-2(4,5)1-6;;1-6(2)5-7(3)4/h6H,1H2;;/q;+1;/p+1
InChIKeyLDLVBEJDIJPSKQ-UHFFFAOYSA-O
XLogP-1.98
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol?
The IUPAC name of sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol (CID 88679015) is sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol.
What is the SMILES notation for sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol?
The canonical SMILES for sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol is O=[P+]([O-])O[P+](=O)O.OCC(Cl)(Cl)Cl.[Na+].
What is the InChIKey of sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol?
The InChIKey is LDLVBEJDIJPSKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3Cl3O.Na.O5P2/c3-2(4,5)1-6;;1-6(2)5-7(3)4/h6H,1H2;;/q;+1;/p+1.
What are the key properties of sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol?
sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol has a molecular weight of 315.35 g/mol, XLogP of -1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydroxy-oxo-phosphooxyphosphanium;2,2,2-trichloroethanol is sourced from PubChem (CID 88679015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).