hydroxy-oxo-propanoylphosphanium

C3H6O3P+ — CID 21409645

IUPAChydroxy-oxo-propanoylphosphanium
SMILESCCC(=O)[P+](=O)O
InChIInChI=1S/C3H5O3P/c1-2-3(4)7(5)6/h2H2,1H3/p+1
InChIKeyOYWXMBIEORBROA-UHFFFAOYSA-O
MW121.05 g/mol
LogP0.66
Rot. Bonds2

About hydroxy-oxo-propanoylphosphanium

hydroxy-oxo-propanoylphosphanium (PubChem CID 21409645) has the molecular formula C3H6O3P+ and a molecular weight of 121.05 g/mol. Its IUPAC name is hydroxy-oxo-propanoylphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-propanoylphosphanium
PubChem CID21409645
Molecular FormulaC3H6O3P+
Molecular Weight121.05 g/mol
Exact Mass121.00
IUPAC Namehydroxy-oxo-propanoylphosphanium
SMILESCCC(=O)[P+](=O)O
InChIInChI=1S/C3H5O3P/c1-2-3(4)7(5)6/h2H2,1H3/p+1
InChIKeyOYWXMBIEORBROA-UHFFFAOYSA-O
XLogP0.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.05
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-propanoylphosphanium?
The IUPAC name of hydroxy-oxo-propanoylphosphanium (CID 21409645) is hydroxy-oxo-propanoylphosphanium.
What is the SMILES notation for hydroxy-oxo-propanoylphosphanium?
The canonical SMILES for hydroxy-oxo-propanoylphosphanium is CCC(=O)[P+](=O)O.
What is the InChIKey of hydroxy-oxo-propanoylphosphanium?
The InChIKey is OYWXMBIEORBROA-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5O3P/c1-2-3(4)7(5)6/h2H2,1H3/p+1.
What are the key properties of hydroxy-oxo-propanoylphosphanium?
hydroxy-oxo-propanoylphosphanium has a molecular weight of 121.05 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-propanoylphosphanium is sourced from PubChem (CID 21409645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).