tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate

H24Na4O18P2 — CID 173423706

IUPACtetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4Na.H4O6P2.12H2O/c;;;;1-7(2,3)8(4,5)6;;;;;;;;;;;;/h;;;;(H2,1,2,3)(H2,4,5,6);12*1H2/q4*+1;;;;;;;;;;;;;/p-4
InChIKeyDETXBAQPNKWHEY-UHFFFAOYSA-J
MW466.08 g/mol
LogP-25.15
Rot. Bonds1

About tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate

tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate (PubChem CID 173423706) has the molecular formula H24Na4O18P2 and a molecular weight of 466.08 g/mol. Its IUPAC name is tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate.

Molecular Properties

Compound Nametetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate
PubChem CID173423706
Molecular FormulaH24Na4O18P2
Molecular Weight466.08 g/mol
Exact Mass466.00
IUPAC Nametetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4Na.H4O6P2.12H2O/c;;;;1-7(2,3)8(4,5)6;;;;;;;;;;;;/h;;;;(H2,1,2,3)(H2,4,5,6);12*1H2/q4*+1;;;;;;;;;;;;;/p-4
InChIKeyDETXBAQPNKWHEY-UHFFFAOYSA-J
XLogP-25.15
TPSA504.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.08
LogP ≤ 5-25.15
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

trisodium;phosphate;dodecahydrate
CID 516998
tetrapotassium;dioxido-oxo-phosphonato-λ5-phosphane
CID 71300779
trisodium;phosphate;pentahydrate
CID 19993446
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
phosphate octahydrate
CID 22485829
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate
CID 170850432
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
azanium;sodium;phosphate
CID 22506365
tetrapotassium;sodium;phosphate
CID 172696103
tris(iron(2+));diphosphate;dihydrate
CID 162235567

Frequently Asked Questions

What is the IUPAC name of tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate?
The IUPAC name of tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate (CID 173423706) is tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate.
What is the SMILES notation for tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate?
The canonical SMILES for tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate?
The InChIKey is DETXBAQPNKWHEY-UHFFFAOYSA-J. The full InChI is InChI=1S/4Na.H4O6P2.12H2O/c;;;;1-7(2,3)8(4,5)6;;;;;;;;;;;;/h;;;;(H2,1,2,3)(H2,4,5,6);12*1H2/q4*+1;;;;;;;;;;;;;/p-4.
What are the key properties of tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate?
tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate has a molecular weight of 466.08 g/mol, XLogP of -25.15, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate is sourced from PubChem (CID 173423706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).