hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)

C6H15Na6O9P3 — CID 176986866

IUPAChexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
SMILESCCP(=O)([O-])[O-].CCP(=O)([O-])[O-].CCP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/3C2H7O3P.6Na/c3*1-2-6(3,4)5;;;;;;/h3*2H2,1H3,(H2,3,4,5);;;;;;/q;;;6*+1/p-6
InChIKeyNRHLKNPCCMRHRO-UHFFFAOYSA-H
MW462.04 g/mol
LogP-21.22
Rot. Bonds3

About hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)

hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane) (PubChem CID 176986866) has the molecular formula C6H15Na6O9P3 and a molecular weight of 462.04 g/mol. Its IUPAC name is hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane).

Molecular Properties

Compound Namehexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
PubChem CID176986866
Molecular FormulaC6H15Na6O9P3
Molecular Weight462.04 g/mol
Exact Mass461.93
IUPAC Namehexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
SMILESCCP(=O)([O-])[O-].CCP(=O)([O-])[O-].CCP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/3C2H7O3P.6Na/c3*1-2-6(3,4)5;;;;;;/h3*2H2,1H3,(H2,3,4,5);;;;;;/q;;;6*+1/p-6
InChIKeyNRHLKNPCCMRHRO-UHFFFAOYSA-H
XLogP-21.22
TPSA189.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.04
LogP ≤ 5-21.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)?
The IUPAC name of hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane) (CID 176986866) is hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane).
What is the SMILES notation for hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)?
The canonical SMILES for hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane) is CCP(=O)([O-])[O-].CCP(=O)([O-])[O-].CCP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)?
The InChIKey is NRHLKNPCCMRHRO-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H7O3P.6Na/c3*1-2-6(3,4)5;;;;;;/h3*2H2,1H3,(H2,3,4,5);;;;;;/q;;;6*+1/p-6.
What are the key properties of hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)?
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane) has a molecular weight of 462.04 g/mol, XLogP of -21.22, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane) is sourced from PubChem (CID 176986866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).