[(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid

C5H9O5P — CID 87872597

IUPAC[(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid
SMILESO=C/C=C/C(O)CP(=O)(O)O
InChIInChI=1S/C5H9O5P/c6-3-1-2-5(7)4-11(8,9)10/h1-3,5,7H,4H2,(H2,8,9,10)/b2-1+
InChIKeyXNWNPQZAIUMLAH-OWOJBTEDSA-N
MW180.10 g/mol
LogP-0.72
Rot. Bonds4

About [(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid

[(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid (PubChem CID 87872597) has the molecular formula C5H9O5P and a molecular weight of 180.10 g/mol. Its IUPAC name is [(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid
PubChem CID87872597
Molecular FormulaC5H9O5P
Molecular Weight180.10 g/mol
Exact Mass180.02
IUPAC Name[(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid
SMILESO=C/C=C/C(O)CP(=O)(O)O
InChIInChI=1S/C5H9O5P/c6-3-1-2-5(7)4-11(8,9)10/h1-3,5,7H,4H2,(H2,8,9,10)/b2-1+
InChIKeyXNWNPQZAIUMLAH-OWOJBTEDSA-N
XLogP-0.72
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid?
The IUPAC name of [(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid (CID 87872597) is [(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid.
What is the SMILES notation for [(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid?
The canonical SMILES for [(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid is O=C/C=C/C(O)CP(=O)(O)O.
What is the InChIKey of [(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid?
The InChIKey is XNWNPQZAIUMLAH-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H9O5P/c6-3-1-2-5(7)4-11(8,9)10/h1-3,5,7H,4H2,(H2,8,9,10)/b2-1+.
What are the key properties of [(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid?
[(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid has a molecular weight of 180.10 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-hydroxy-5-oxopent-3-enyl]phosphonic acid is sourced from PubChem (CID 87872597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).