tris(dihydroxy(oxo)phosphanium);propane

C3H14O9P3+3 — CID 159543377

IUPACtris(dihydroxy(oxo)phosphanium);propane
SMILESCCC.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C3H8.3HO3P/c1-3-2;3*1-4(2)3/h3H2,1-2H3;3*(H-,1,2,3)/p+3
InChIKeyPLZMASYNNVKDEY-UHFFFAOYSA-Q
MW287.06 g/mol
LogP0.30
Rot. Bonds

About tris(dihydroxy(oxo)phosphanium);propane

tris(dihydroxy(oxo)phosphanium);propane (PubChem CID 159543377) has the molecular formula C3H14O9P3+3 and a molecular weight of 287.06 g/mol. Its IUPAC name is tris(dihydroxy(oxo)phosphanium);propane.

Molecular Properties

Compound Nametris(dihydroxy(oxo)phosphanium);propane
PubChem CID159543377
Molecular FormulaC3H14O9P3+3
Molecular Weight287.06 g/mol
Exact Mass286.98
IUPAC Nametris(dihydroxy(oxo)phosphanium);propane
SMILESCCC.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C3H8.3HO3P/c1-3-2;3*1-4(2)3/h3H2,1-2H3;3*(H-,1,2,3)/p+3
InChIKeyPLZMASYNNVKDEY-UHFFFAOYSA-Q
XLogP0.30
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.06
LogP ≤ 50.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphenous acid;propane
CID 19090860
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
dihydroxy(oxo)phosphanium;tetraethylazanium
CID 175533770
dihydroxy(oxo)phosphanium;triethylalumane
CID 175425251
azane;butane;cyclobutane;dihydroxy(oxo)phosphanium
CID 67895311
ethyl-hydroxy-oxophosphanium;dihydrochloride
CID 88745268
dihydroxy(oxo)phosphanium;dihydrochloride
CID 172680217
cadmium(2+);dihydroxy(oxo)phosphanium
CID 22506351
CID 172849342
CID 172849342
dihydroxy(oxo)phosphanium;samarium
CID 161079463

Frequently Asked Questions

What is the IUPAC name of tris(dihydroxy(oxo)phosphanium);propane?
The IUPAC name of tris(dihydroxy(oxo)phosphanium);propane (CID 159543377) is tris(dihydroxy(oxo)phosphanium);propane.
What is the SMILES notation for tris(dihydroxy(oxo)phosphanium);propane?
The canonical SMILES for tris(dihydroxy(oxo)phosphanium);propane is CCC.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of tris(dihydroxy(oxo)phosphanium);propane?
The InChIKey is PLZMASYNNVKDEY-UHFFFAOYSA-Q. The full InChI is InChI=1S/C3H8.3HO3P/c1-3-2;3*1-4(2)3/h3H2,1-2H3;3*(H-,1,2,3)/p+3.
What are the key properties of tris(dihydroxy(oxo)phosphanium);propane?
tris(dihydroxy(oxo)phosphanium);propane has a molecular weight of 287.06 g/mol, XLogP of 0.30, 0 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dihydroxy(oxo)phosphanium);propane is sourced from PubChem (CID 159543377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).