acetyloxy-hydroxy-oxophosphanium

C2H4O4P+ — CID 57189518

IUPACacetyloxy-hydroxy-oxophosphanium
SMILESCC(=O)O[P+](=O)O
InChIInChI=1S/C2H3O4P/c1-2(3)6-7(4)5/h1H3/p+1
InChIKeyCQAYJDMWUGRKOJ-UHFFFAOYSA-O
MW123.02 g/mol
LogP0.20
Rot. Bonds1

About acetyloxy-hydroxy-oxophosphanium

acetyloxy-hydroxy-oxophosphanium (PubChem CID 57189518) has the molecular formula C2H4O4P+ and a molecular weight of 123.02 g/mol. Its IUPAC name is acetyloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Nameacetyloxy-hydroxy-oxophosphanium
PubChem CID57189518
Molecular FormulaC2H4O4P+
Molecular Weight123.02 g/mol
Exact Mass122.98
IUPAC Nameacetyloxy-hydroxy-oxophosphanium
SMILESCC(=O)O[P+](=O)O
InChIInChI=1S/C2H3O4P/c1-2(3)6-7(4)5/h1H3/p+1
InChIKeyCQAYJDMWUGRKOJ-UHFFFAOYSA-O
XLogP0.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.02
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-ethyl-2-methylpent-2-enoyl)oxy-hydroxy-oxophosphanium
CID 87142301
acetic acid;acetyl acetate;dihydroxy(oxo)phosphanium
CID 126843366
ethyl acetate;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 158835413
hydroxy-oxo-(2,2,3-trimethylbutanoyloxy)phosphanium
CID 175429579
but-1-en-2-yloxy-hydroxy-oxophosphanium
CID 170345188
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174395966
methyl acetate;ruthenium
CID 160799101
dihydroxy(oxo)phosphanium;(1,1,1-trichloro-2-methylpropan-2-yl) acetate
CID 157067106
ethylsulfanyloxy-hydroxy-oxophosphanium
CID 90042478
bis(2-methylprop-2-enoyloxy)-oxophosphanium
CID 87559559
acetic acid;ruthenium
CID 175502908
CID 87069860
CID 87069860

Frequently Asked Questions

What is the IUPAC name of acetyloxy-hydroxy-oxophosphanium?
The IUPAC name of acetyloxy-hydroxy-oxophosphanium (CID 57189518) is acetyloxy-hydroxy-oxophosphanium.
What is the SMILES notation for acetyloxy-hydroxy-oxophosphanium?
The canonical SMILES for acetyloxy-hydroxy-oxophosphanium is CC(=O)O[P+](=O)O.
What is the InChIKey of acetyloxy-hydroxy-oxophosphanium?
The InChIKey is CQAYJDMWUGRKOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3O4P/c1-2(3)6-7(4)5/h1H3/p+1.
What are the key properties of acetyloxy-hydroxy-oxophosphanium?
acetyloxy-hydroxy-oxophosphanium has a molecular weight of 123.02 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 57189518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).