2-acetyloxy-2-phosphorosoacetic acid

C4H5O5P — CID 130464156

IUPAC2-acetyloxy-2-phosphorosoacetic acid
SMILESCC(=O)OC(P=O)C(=O)O
InChIInChI=1S/C4H5O5P/c1-2(5)9-4(10-8)3(6)7/h4H,1H3,(H,6,7)
InChIKeyYSZRTSAEPLIRPB-UHFFFAOYSA-N
MW164.05 g/mol
LogP0.25
Rot. Bonds3

About 2-acetyloxy-2-phosphorosoacetic acid

2-acetyloxy-2-phosphorosoacetic acid (PubChem CID 130464156) has the molecular formula C4H5O5P and a molecular weight of 164.05 g/mol. Its IUPAC name is 2-acetyloxy-2-phosphorosoacetic acid.

Molecular Properties

Compound Name2-acetyloxy-2-phosphorosoacetic acid
PubChem CID130464156
Molecular FormulaC4H5O5P
Molecular Weight164.05 g/mol
Exact Mass163.99
IUPAC Name2-acetyloxy-2-phosphorosoacetic acid
SMILESCC(=O)OC(P=O)C(=O)O
InChIInChI=1S/C4H5O5P/c1-2(5)9-4(10-8)3(6)7/h4H,1H3,(H,6,7)
InChIKeyYSZRTSAEPLIRPB-UHFFFAOYSA-N
XLogP0.25
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 50.25
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

(2S)-2-acetyloxypropanoic acid
CID 6326324
(2S)-2-acetyloxypropanoic acid;hydrochloride
CID 87235291
(2R,3R)-2,3-diacetyloxybutanedioic acid
CID 2060943
(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxyhexanedioic acid
CID 99723141
2-acetyloxybutanoic acid
CID 13327294
(2S)-3-acetyloxy-2-aminobutanoic acid
CID 87141229
(2S)-2-[(3S)-3-[(3S)-3-[(3S)-3-acetyloxy-3-carboxypropanoyl]oxy-3-carboxypropanoyl]oxy-3-carboxypropanoyl]oxybutanedioic acid
CID 10792169
2,3,4-triacetyloxybutanoic acid
CID 77215762
[(2S)-1-bromo-1-oxopropan-2-yl] acetate
CID 18637837
(2S)-2-acetyloxypropanoate
CID 40784882
propan-2-yl acetate;hydrochloride
CID 87336432
(2-acetyloxy-1,2-dichloroethyl) acetate
CID 536148

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2-phosphorosoacetic acid?
The IUPAC name of 2-acetyloxy-2-phosphorosoacetic acid (CID 130464156) is 2-acetyloxy-2-phosphorosoacetic acid.
What is the SMILES notation for 2-acetyloxy-2-phosphorosoacetic acid?
The canonical SMILES for 2-acetyloxy-2-phosphorosoacetic acid is CC(=O)OC(P=O)C(=O)O.
What is the InChIKey of 2-acetyloxy-2-phosphorosoacetic acid?
The InChIKey is YSZRTSAEPLIRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O5P/c1-2(5)9-4(10-8)3(6)7/h4H,1H3,(H,6,7).
What are the key properties of 2-acetyloxy-2-phosphorosoacetic acid?
2-acetyloxy-2-phosphorosoacetic acid has a molecular weight of 164.05 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-phosphorosoacetic acid is sourced from PubChem (CID 130464156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).