2-phosphonoethaneperoxoic acid

C2H5O6P — CID 87971374

IUPAC2-phosphonoethaneperoxoic acid
SMILESO=C(CP(=O)(O)O)OO
InChIInChI=1S/C2H5O6P/c3-2(8-4)1-9(5,6)7/h4H,1H2,(H2,5,6,7)
InChIKeyPVBVLSRHPABDLE-UHFFFAOYSA-N
MW156.03 g/mol
LogP-0.82
Rot. Bonds2

About 2-phosphonoethaneperoxoic acid

2-phosphonoethaneperoxoic acid (PubChem CID 87971374) has the molecular formula C2H5O6P and a molecular weight of 156.03 g/mol. Its IUPAC name is 2-phosphonoethaneperoxoic acid.

Molecular Properties

Compound Name2-phosphonoethaneperoxoic acid
PubChem CID87971374
Molecular FormulaC2H5O6P
Molecular Weight156.03 g/mol
Exact Mass155.98
IUPAC Name2-phosphonoethaneperoxoic acid
SMILESO=C(CP(=O)(O)O)OO
InChIInChI=1S/C2H5O6P/c3-2(8-4)1-9(5,6)7/h4H,1H2,(H2,5,6,7)
InChIKeyPVBVLSRHPABDLE-UHFFFAOYSA-N
XLogP-0.82
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-tert-butylperoxy-2-oxoethyl)phosphonic acid
CID 71396047
[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]phosphonic acid
CID 58473369
butane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phosphonic acid
CID 87066053
2-phosphonoacetic acid;zirconium
CID 87438381
(2-bromo-2-oxoethyl)phosphonic acid
CID 87391057
sodium 2-phosphonoacetate
CID 70692044
azanium (2-oxo-2-phenylmethoxyethyl)phosphonic acid
CID 21123143
(7-methoxy-2,7-dioxoheptyl)phosphonic acid
CID 21497644
N,N-dimethylmethanamine;2-phosphonoacetic acid
CID 174478307
disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride
CID 173171688
[2-(dipropylamino)-2-oxoethyl]phosphonic acid
CID 19906185
butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid
CID 88738432

Frequently Asked Questions

What is the IUPAC name of 2-phosphonoethaneperoxoic acid?
The IUPAC name of 2-phosphonoethaneperoxoic acid (CID 87971374) is 2-phosphonoethaneperoxoic acid.
What is the SMILES notation for 2-phosphonoethaneperoxoic acid?
The canonical SMILES for 2-phosphonoethaneperoxoic acid is O=C(CP(=O)(O)O)OO.
What is the InChIKey of 2-phosphonoethaneperoxoic acid?
The InChIKey is PVBVLSRHPABDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O6P/c3-2(8-4)1-9(5,6)7/h4H,1H2,(H2,5,6,7).
What are the key properties of 2-phosphonoethaneperoxoic acid?
2-phosphonoethaneperoxoic acid has a molecular weight of 156.03 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonoethaneperoxoic acid is sourced from PubChem (CID 87971374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).