disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium

H6Na2O11P3+ — CID 172821618

IUPACdisodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=[P+](O)O.[Na+].[Na+]
InChIInChI=1S/2Na.2H3O4P.HO3P/c;;2*1-5(2,3)4;1-4(2)3/h;;2*(H3,1,2,3,4);(H-,1,2,3)/q2*+1;;;/p-1
InChIKeyPUNCCCRZJOBCOR-UHFFFAOYSA-M
MW320.94 g/mol
LogP-9.48
Rot. Bonds

About disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium

disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium (PubChem CID 172821618) has the molecular formula H6Na2O11P3+ and a molecular weight of 320.94 g/mol. Its IUPAC name is disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Namedisodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium
PubChem CID172821618
Molecular FormulaH6Na2O11P3+
Molecular Weight320.94 g/mol
Exact Mass320.89
IUPAC Namedisodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=[P+](O)O.[Na+].[Na+]
InChIInChI=1S/2Na.2H3O4P.HO3P/c;;2*1-5(2,3)4;1-4(2)3/h;;2*(H3,1,2,3,4);(H-,1,2,3)/q2*+1;;;/p-1
InChIKeyPUNCCCRZJOBCOR-UHFFFAOYSA-M
XLogP-9.48
TPSA218.71 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.94
LogP ≤ 5-9.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium dihydroxy(32P)phosphinate
CID 23694678
disodium;dihydrogen phosphate;fluoride
CID 159057923
disodium;dihydrogen phosphate;hydride
CID 160585046
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
dipotassium;sodium;bis(dihydrogen phosphate);chloride
CID 161050974
sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
CID 160530469
sodium;tris(dihydrogen phosphate);hydron;phosphoric acid
CID 173335984
potassium;sodium;dihydrogen phosphate;chloride
CID 161315092
dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate
CID 138394176
dihydroxy(oxo)phosphanium;phosphoric acid;zirconium
CID 173299921
calcium;sodium;dihydrogen phosphate;dichloride
CID 174783945

Frequently Asked Questions

What is the IUPAC name of disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium?
The IUPAC name of disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium (CID 172821618) is disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium.
What is the SMILES notation for disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium?
The canonical SMILES for disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium is O=P([O-])(O)O.O=P([O-])(O)O.O=[P+](O)O.[Na+].[Na+].
What is the InChIKey of disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium?
The InChIKey is PUNCCCRZJOBCOR-UHFFFAOYSA-M. The full InChI is InChI=1S/2Na.2H3O4P.HO3P/c;;2*1-5(2,3)4;1-4(2)3/h;;2*(H3,1,2,3,4);(H-,1,2,3)/q2*+1;;;/p-1.
What are the key properties of disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium?
disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium has a molecular weight of 320.94 g/mol, XLogP of -9.48, 0 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium is sourced from PubChem (CID 172821618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).