tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)

C9H20Na4O11P4+4 — CID 159420357

IUPACtetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)
SMILESCCCCCCCCCO.O=[P+]([O-])O[P+](=O)[O-].O=[P+]([O-])O[P+](=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C9H20O.4Na.2O5P2/c1-2-3-4-5-6-7-8-9-10;;;;;2*1-6(2)5-7(3)4/h10H,2-9H2,1H3;;;;;;/q;4*+1;;
InChIKeyUGTQMICWWWQQEQ-UHFFFAOYSA-N
MW520.10 g/mol
LogP-11.18
Rot. Bonds11

About tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)

tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium) (PubChem CID 159420357) has the molecular formula C9H20Na4O11P4+4 and a molecular weight of 520.10 g/mol. Its IUPAC name is tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium).

Molecular Properties

Compound Nametetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)
PubChem CID159420357
Molecular FormulaC9H20Na4O11P4+4
Molecular Weight520.10 g/mol
Exact Mass519.95
IUPAC Nametetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)
SMILESCCCCCCCCCO.O=[P+]([O-])O[P+](=O)[O-].O=[P+]([O-])O[P+](=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C9H20O.4Na.2O5P2/c1-2-3-4-5-6-7-8-9-10;;;;;2*1-6(2)5-7(3)4/h10H,2-9H2,1H3;;;;;;/q;4*+1;;
InChIKeyUGTQMICWWWQQEQ-UHFFFAOYSA-N
XLogP-11.18
TPSA199.21 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.10
LogP ≤ 5-11.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipotassium;oxido-oxo-phosphooxyphosphanium;pentadecan-1-ol
CID 173412514
calcium;heptan-1-ol;oxido-oxo-phosphooxyphosphanium
CID 88678862
decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755
dihydroxy(oxo)phosphanium;tridecan-1-ol
CID 174863686
azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol
CID 173412749
trisodium;octadecan-1-ol;phosphate
CID 173304985
bis(dihydroxy(oxo)phosphanium);pentan-1-ol
CID 88669892
sodium;dodecan-1-ol;hydride
CID 173039865
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
undecan-1-ol
CID 122455065

Frequently Asked Questions

What is the IUPAC name of tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)?
The IUPAC name of tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium) (CID 159420357) is tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium).
What is the SMILES notation for tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)?
The canonical SMILES for tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium) is CCCCCCCCCO.O=[P+]([O-])O[P+](=O)[O-].O=[P+]([O-])O[P+](=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)?
The InChIKey is UGTQMICWWWQQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.4Na.2O5P2/c1-2-3-4-5-6-7-8-9-10;;;;;2*1-6(2)5-7(3)4/h10H,2-9H2,1H3;;;;;;/q;4*+1;;.
What are the key properties of tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)?
tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium) has a molecular weight of 520.10 g/mol, XLogP of -11.18, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium) is sourced from PubChem (CID 159420357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).