dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)

C3H6O6P2Zr — CID 88696209

IUPACdioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)
SMILESO=P([O-])([O-])CCCP(=O)([O-])[O-].[Zr+4]
InChIInChI=1S/C3H10O6P2.Zr/c4-10(5,6)2-1-3-11(7,8)9;/h1-3H2,(H2,4,5,6)(H2,7,8,9);/q;+4/p-4
InChIKeyYIMOZVUARJNIQE-UHFFFAOYSA-J
MW291.25 g/mol
LogP-2.80
Rot. Bonds4

About dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)

dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+) (PubChem CID 88696209) has the molecular formula C3H6O6P2Zr and a molecular weight of 291.25 g/mol. Its IUPAC name is dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+).

Molecular Properties

Compound Namedioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)
PubChem CID88696209
Molecular FormulaC3H6O6P2Zr
Molecular Weight291.25 g/mol
Exact Mass289.87
IUPAC Namedioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)
SMILESO=P([O-])([O-])CCCP(=O)([O-])[O-].[Zr+4]
InChIInChI=1S/C3H10O6P2.Zr/c4-10(5,6)2-1-3-11(7,8)9;/h1-3H2,(H2,4,5,6)(H2,7,8,9);/q;+4/p-4
InChIKeyYIMOZVUARJNIQE-UHFFFAOYSA-J
XLogP-2.80
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)
CID 88773242
copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane
CID 13424002
diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane
CID 168655255
zirconium(4+) phosphate
CID 21124562
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
hydroxylamine;tris(zirconium(4+));tetraphosphate
CID 174979397
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108
magnesium dodecyl-dioxido-oxo-λ5-phosphane
CID 165391544
tricalcium;zirconium(4+);phosphate
CID 172787637
dioxido-oxo-(4-trihydroxysilylbutyl)-λ5-phosphane
CID 22719275
trisodium;3-phosphonatopropane-1-sulfonate
CID 59119580

Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)?
The IUPAC name of dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+) (CID 88696209) is dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+).
What is the SMILES notation for dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)?
The canonical SMILES for dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+) is O=P([O-])([O-])CCCP(=O)([O-])[O-].[Zr+4].
What is the InChIKey of dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)?
The InChIKey is YIMOZVUARJNIQE-UHFFFAOYSA-J. The full InChI is InChI=1S/C3H10O6P2.Zr/c4-10(5,6)2-1-3-11(7,8)9;/h1-3H2,(H2,4,5,6)(H2,7,8,9);/q;+4/p-4.
What are the key properties of dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)?
dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+) has a molecular weight of 291.25 g/mol, XLogP of -2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+) is sourced from PubChem (CID 88696209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).