2-phosphonoacetic acid;zirconium

C2H5O5PZr — CID 87438381

IUPAC2-phosphonoacetic acid;zirconium
SMILESO=C(O)CP(=O)(O)O.[Zr]
InChIInChI=1S/C2H5O5P.Zr/c3-2(4)1-8(5,6)7;/h1H2,(H,3,4)(H2,5,6,7);
InChIKeyZCLZKZWFFIVSDP-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.75
Rot. Bonds2

About 2-phosphonoacetic acid;zirconium

2-phosphonoacetic acid;zirconium (PubChem CID 87438381) has the molecular formula C2H5O5PZr and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-phosphonoacetic acid;zirconium.

Molecular Properties

Compound Name2-phosphonoacetic acid;zirconium
PubChem CID87438381
Molecular FormulaC2H5O5PZr
Molecular Weight231.25 g/mol
Exact Mass229.89
IUPAC Name2-phosphonoacetic acid;zirconium
SMILESO=C(O)CP(=O)(O)O.[Zr]
InChIInChI=1S/C2H5O5P.Zr/c3-2(4)1-8(5,6)7;/h1H2,(H,3,4)(H2,5,6,7);
InChIKeyZCLZKZWFFIVSDP-UHFFFAOYSA-N
XLogP-0.75
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174478307
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2-hydroxypropane-1,2,3-tricarboxylic acid;2-phosphonoacetic acid
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3-phosphonopropanoic acid;zirconium
CID 88720720
2-difluorophosphorylacetic acid
CID 87531772
(2-bromo-2-oxoethyl)phosphonic acid
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5-phenylpentanoic acid;2-phosphonoacetic acid
CID 67686040
2-[hydroxy(sulfanyloxy)phosphoryl]acetic acid
CID 87059466
sodium 2-phosphonoacetate
CID 70692044
2-hydroxyacetic acid;phosphoric acid
CID 23322415
2-phosphonoethaneperoxoic acid
CID 87971374

Frequently Asked Questions

What is the IUPAC name of 2-phosphonoacetic acid;zirconium?
The IUPAC name of 2-phosphonoacetic acid;zirconium (CID 87438381) is 2-phosphonoacetic acid;zirconium.
What is the SMILES notation for 2-phosphonoacetic acid;zirconium?
The canonical SMILES for 2-phosphonoacetic acid;zirconium is O=C(O)CP(=O)(O)O.[Zr].
What is the InChIKey of 2-phosphonoacetic acid;zirconium?
The InChIKey is ZCLZKZWFFIVSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O5P.Zr/c3-2(4)1-8(5,6)7;/h1H2,(H,3,4)(H2,5,6,7);.
What are the key properties of 2-phosphonoacetic acid;zirconium?
2-phosphonoacetic acid;zirconium has a molecular weight of 231.25 g/mol, XLogP of -0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonoacetic acid;zirconium is sourced from PubChem (CID 87438381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).