3-phosphonopropanoic acid;zirconium

C3H7O5PZr — CID 88720720

IUPAC3-phosphonopropanoic acid;zirconium
SMILESO=C(O)CCP(=O)(O)O.[Zr]
InChIInChI=1S/C3H7O5P.Zr/c4-3(5)1-2-9(6,7)8;/h1-2H2,(H,4,5)(H2,6,7,8);
InChIKeyLCVWOOSSOWOYEN-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.36
Rot. Bonds3

About 3-phosphonopropanoic acid;zirconium

3-phosphonopropanoic acid;zirconium (PubChem CID 88720720) has the molecular formula C3H7O5PZr and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-phosphonopropanoic acid;zirconium.

Molecular Properties

Compound Name3-phosphonopropanoic acid;zirconium
PubChem CID88720720
Molecular FormulaC3H7O5PZr
Molecular Weight245.28 g/mol
Exact Mass243.91
IUPAC Name3-phosphonopropanoic acid;zirconium
SMILESO=C(O)CCP(=O)(O)O.[Zr]
InChIInChI=1S/C3H7O5P.Zr/c4-3(5)1-2-9(6,7)8;/h1-2H2,(H,4,5)(H2,6,7,8);
InChIKeyLCVWOOSSOWOYEN-UHFFFAOYSA-N
XLogP-0.36
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.36
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

2-phosphonopropanoic acid;3-phosphonopropanoic acid
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33-phosphonotritriacontanoic acid
CID 87686825
10-phosphonodecanoic acid
CID 87400342
17-phosphonoheptadecanoic acid
CID 87457522
1-hydroxypyrrolidine-2,5-dione;3-phosphonopropanoic acid
CID 175009654
3-phosphonopropanethioic S-acid
CID 174946197
3-[ethyl(hydroxy)phosphoryl]propanoic acid
CID 19011064
2-phosphonoacetic acid;zirconium
CID 87438381
tris(3-phosphonatopropanoic acid);bis(titanium(3+))
CID 155387935
3-[butan-2-yl(hydroxy)phosphoryl]propanoic acid
CID 46216498
disodium;butanedioic acid;hydrogen phosphate;phosphoric acid
CID 160584781
6-phosphonohex-4-enoic acid
CID 173274154

Frequently Asked Questions

What is the IUPAC name of 3-phosphonopropanoic acid;zirconium?
The IUPAC name of 3-phosphonopropanoic acid;zirconium (CID 88720720) is 3-phosphonopropanoic acid;zirconium.
What is the SMILES notation for 3-phosphonopropanoic acid;zirconium?
The canonical SMILES for 3-phosphonopropanoic acid;zirconium is O=C(O)CCP(=O)(O)O.[Zr].
What is the InChIKey of 3-phosphonopropanoic acid;zirconium?
The InChIKey is LCVWOOSSOWOYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O5P.Zr/c4-3(5)1-2-9(6,7)8;/h1-2H2,(H,4,5)(H2,6,7,8);.
What are the key properties of 3-phosphonopropanoic acid;zirconium?
3-phosphonopropanoic acid;zirconium has a molecular weight of 245.28 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphonopropanoic acid;zirconium is sourced from PubChem (CID 88720720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).