tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane

C16H16K4O6P2 — CID 24805768

IUPACtetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane
SMILESO=P([O-])([O-])C(CCCc1ccc(-c2ccccc2)cc1)P(=O)([O-])[O-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C16H20O6P2.4K/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14;;;;/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22);;;;/q;4*+1/p-4
InChIKeyBCYAVSRUQADSRS-UHFFFAOYSA-J
MW522.64 g/mol
LogP-11.15
Rot. Bonds7

About tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane

tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane (PubChem CID 24805768) has the molecular formula C16H16K4O6P2 and a molecular weight of 522.64 g/mol. Its IUPAC name is tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane.

Molecular Properties

Compound Nametetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane
PubChem CID24805768
Molecular FormulaC16H16K4O6P2
Molecular Weight522.64 g/mol
Exact Mass521.90
IUPAC Nametetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane
SMILESO=P([O-])([O-])C(CCCc1ccc(-c2ccccc2)cc1)P(=O)([O-])[O-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C16H20O6P2.4K/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14;;;;/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22);;;;/q;4*+1/p-4
InChIKeyBCYAVSRUQADSRS-UHFFFAOYSA-J
XLogP-11.15
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.64
LogP ≤ 5-11.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane?
The IUPAC name of tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane (CID 24805768) is tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane.
What is the SMILES notation for tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane?
The canonical SMILES for tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane is O=P([O-])([O-])C(CCCc1ccc(-c2ccccc2)cc1)P(=O)([O-])[O-].[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane?
The InChIKey is BCYAVSRUQADSRS-UHFFFAOYSA-J. The full InChI is InChI=1S/C16H20O6P2.4K/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14;;;;/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22);;;;/q;4*+1/p-4.
What are the key properties of tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane?
tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane has a molecular weight of 522.64 g/mol, XLogP of -11.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane is sourced from PubChem (CID 24805768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).