dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane)

C18H49O7P4S+ — CID 175042860

IUPACdihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane)
SMILESCCP(CC)CC.CCP(CC)CC.CCP(CC)CC.O=S(=O)(O)O.O=[P+](O)O
InChIInChI=1S/3C6H15P.H2O4S.HO3P/c3*1-4-7(5-2)6-3;1-5(2,3)4;1-4(2)3/h3*4-6H2,1-3H3;(H2,1,2,3,4);(H-,1,2,3)/p+1
InChIKeyWELINLZJNYFNJD-UHFFFAOYSA-O
MW533.55 g/mol
LogP6.56
Rot. Bonds9

About dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane)

dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane) (PubChem CID 175042860) has the molecular formula C18H49O7P4S+ and a molecular weight of 533.55 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane).

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane)
PubChem CID175042860
Molecular FormulaC18H49O7P4S+
Molecular Weight533.55 g/mol
Exact Mass533.21
IUPAC Namedihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane)
SMILESCCP(CC)CC.CCP(CC)CC.CCP(CC)CC.O=S(=O)(O)O.O=[P+](O)O
InChIInChI=1S/3C6H15P.H2O4S.HO3P/c3*1-4-7(5-2)6-3;1-5(2,3)4;1-4(2)3/h3*4-6H2,1-3H3;(H2,1,2,3,4);(H-,1,2,3)/p+1
InChIKeyWELINLZJNYFNJD-UHFFFAOYSA-O
XLogP6.56
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 56.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

bis(dihydroxy(oxo)phosphanium);sulfuric acid
CID 173056581
calcium;dihydroxy(oxo)phosphanium;hydride;sulfuric acid
CID 173175624
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
formaldehyde;nickel;bis(triethylphosphane)
CID 173175797
ethanol;iron;sulfuric acid
CID 174907324
ethanol;sulfuric acid;hydrate
CID 86634241
butane;sulfuric acid;zinc
CID 175431012
ethanol;silver;sulfuric acid
CID 174392237
lithium;dihydroxy(oxo)phosphanium;ethane
CID 161092512
lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane
CID 175392491
azane;ethanamine;sulfuric acid
CID 173214245
ethanol;methanamine;sulfuric acid
CID 174912363

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane)?
The IUPAC name of dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane) (CID 175042860) is dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane).
What is the SMILES notation for dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane)?
The canonical SMILES for dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane) is CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.O=S(=O)(O)O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane)?
The InChIKey is WELINLZJNYFNJD-UHFFFAOYSA-O. The full InChI is InChI=1S/3C6H15P.H2O4S.HO3P/c3*1-4-7(5-2)6-3;1-5(2,3)4;1-4(2)3/h3*4-6H2,1-3H3;(H2,1,2,3,4);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane)?
dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane) has a molecular weight of 533.55 g/mol, XLogP of 6.56, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;sulfuric acid;tris(triethylphosphane) is sourced from PubChem (CID 175042860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).