tris(2-hydroxyethylphosphanium);phosphate

C6H24O7P4 — CID 159553756

IUPACtris(2-hydroxyethylphosphanium);phosphate
SMILESO=P([O-])([O-])[O-].OCC[PH3+].OCC[PH3+].OCC[PH3+]
InChIInChI=1S/3C2H7OP.H3O4P/c3*3-1-2-4;1-5(2,3)4/h3*3H,1-2,4H2;(H3,1,2,3,4)
InChIKeyDKDJOUJDZUASEO-UHFFFAOYSA-N
MW332.15 g/mol
LogP-4.07
Rot. Bonds3

About tris(2-hydroxyethylphosphanium);phosphate

tris(2-hydroxyethylphosphanium);phosphate (PubChem CID 159553756) has the molecular formula C6H24O7P4 and a molecular weight of 332.15 g/mol. Its IUPAC name is tris(2-hydroxyethylphosphanium);phosphate.

Molecular Properties

Compound Nametris(2-hydroxyethylphosphanium);phosphate
PubChem CID159553756
Molecular FormulaC6H24O7P4
Molecular Weight332.15 g/mol
Exact Mass332.05
IUPAC Nametris(2-hydroxyethylphosphanium);phosphate
SMILESO=P([O-])([O-])[O-].OCC[PH3+].OCC[PH3+].OCC[PH3+]
InChIInChI=1S/3C2H7OP.H3O4P/c3*3-1-2-4;1-5(2,3)4/h3*3H,1-2,4H2;(H3,1,2,3,4)
InChIKeyDKDJOUJDZUASEO-UHFFFAOYSA-N
XLogP-4.07
TPSA146.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 5-4.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tripotassium;tris(ethane-1,2-diol);phosphate
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hydroxymethylphosphanium;acetate;phosphate
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trisodium;hydrogen peroxide;phosphate
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hydroxy(2-hydroxyethyl)phosphinate
CID 25246079
calcium phosphonatomethanol
CID 154632355
trisodium;octadecan-1-ol;phosphate
CID 173304985
tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
CID 57350182
methane phosphate
CID 22352647
CID 23618823
CID 23618823
zirconium(4+) phosphate
CID 21124562
sodium phosphate
CID 21225609

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethylphosphanium);phosphate?
The IUPAC name of tris(2-hydroxyethylphosphanium);phosphate (CID 159553756) is tris(2-hydroxyethylphosphanium);phosphate.
What is the SMILES notation for tris(2-hydroxyethylphosphanium);phosphate?
The canonical SMILES for tris(2-hydroxyethylphosphanium);phosphate is O=P([O-])([O-])[O-].OCC[PH3+].OCC[PH3+].OCC[PH3+].
What is the InChIKey of tris(2-hydroxyethylphosphanium);phosphate?
The InChIKey is DKDJOUJDZUASEO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H7OP.H3O4P/c3*3-1-2-4;1-5(2,3)4/h3*3H,1-2,4H2;(H3,1,2,3,4).
What are the key properties of tris(2-hydroxyethylphosphanium);phosphate?
tris(2-hydroxyethylphosphanium);phosphate has a molecular weight of 332.15 g/mol, XLogP of -4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethylphosphanium);phosphate is sourced from PubChem (CID 159553756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).