hydroxy-oxo-propylsulfonyloxyphosphanium

C3H8O5PS+ — CID 174575206

IUPAChydroxy-oxo-propylsulfonyloxyphosphanium
SMILESCCCS(=O)(=O)O[P+](=O)O
InChIInChI=1S/C3H7O5PS/c1-2-3-10(6,7)8-9(4)5/h2-3H2,1H3/p+1
InChIKeyOVLCZPILAOMXAL-UHFFFAOYSA-O
MW187.13 g/mol
LogP0.39
Rot. Bonds4

About hydroxy-oxo-propylsulfonyloxyphosphanium

hydroxy-oxo-propylsulfonyloxyphosphanium (PubChem CID 174575206) has the molecular formula C3H8O5PS+ and a molecular weight of 187.13 g/mol. Its IUPAC name is hydroxy-oxo-propylsulfonyloxyphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-propylsulfonyloxyphosphanium
PubChem CID174575206
Molecular FormulaC3H8O5PS+
Molecular Weight187.13 g/mol
Exact Mass186.98
IUPAC Namehydroxy-oxo-propylsulfonyloxyphosphanium
SMILESCCCS(=O)(=O)O[P+](=O)O
InChIInChI=1S/C3H7O5PS/c1-2-3-10(6,7)8-9(4)5/h2-3H2,1H3/p+1
InChIKeyOVLCZPILAOMXAL-UHFFFAOYSA-O
XLogP0.39
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propylsulfonyl propane-1-sulfonate
CID 11031687
acetic acid;propylsulfonyl propane-1-sulfonate
CID 146345923
sodium;hydride;trimethylsilyl propane-1-sulfonate
CID 173422421
butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium
CID 87364620
propylsulfonyl formate
CID 87151772
sulfinooxy propane-1-sulfonate
CID 91013751
2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
benzenesulfonyloxy-hydroxy-oxophosphanium;ethanamine
CID 175100508
1-propylsulfonylpropane
CID 11709
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
CID 121393600
CID 121393600

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-propylsulfonyloxyphosphanium?
The IUPAC name of hydroxy-oxo-propylsulfonyloxyphosphanium (CID 174575206) is hydroxy-oxo-propylsulfonyloxyphosphanium.
What is the SMILES notation for hydroxy-oxo-propylsulfonyloxyphosphanium?
The canonical SMILES for hydroxy-oxo-propylsulfonyloxyphosphanium is CCCS(=O)(=O)O[P+](=O)O.
What is the InChIKey of hydroxy-oxo-propylsulfonyloxyphosphanium?
The InChIKey is OVLCZPILAOMXAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O5PS/c1-2-3-10(6,7)8-9(4)5/h2-3H2,1H3/p+1.
What are the key properties of hydroxy-oxo-propylsulfonyloxyphosphanium?
hydroxy-oxo-propylsulfonyloxyphosphanium has a molecular weight of 187.13 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-propylsulfonyloxyphosphanium is sourced from PubChem (CID 174575206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).