disodium;dioxetane;hydrogen phosphate

C2H5Na2O6P — CID 162093678

IUPACdisodium;dioxetane;hydrogen phosphate
SMILESC1COO1.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/C2H4O2.2Na.H3O4P/c1-2-4-3-1;;;1-5(2,3)4/h1-2H2;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyZDYMMYRGXRGTKG-UHFFFAOYSA-L
MW202.01 g/mol
LogP-8.24
Rot. Bonds

About disodium;dioxetane;hydrogen phosphate

disodium;dioxetane;hydrogen phosphate (PubChem CID 162093678) has the molecular formula C2H5Na2O6P and a molecular weight of 202.01 g/mol. Its IUPAC name is disodium;dioxetane;hydrogen phosphate.

Molecular Properties

Compound Namedisodium;dioxetane;hydrogen phosphate
PubChem CID162093678
Molecular FormulaC2H5Na2O6P
Molecular Weight202.01 g/mol
Exact Mass201.96
IUPAC Namedisodium;dioxetane;hydrogen phosphate
SMILESC1COO1.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/C2H4O2.2Na.H3O4P/c1-2-4-3-1;;;1-5(2,3)4/h1-2H2;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyZDYMMYRGXRGTKG-UHFFFAOYSA-L
XLogP-8.24
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 5-8.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
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CID 18980410
azanium;sodium;hydrogen phosphate;tetrahydrate
CID 56924540
dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate
CID 138394176
trisodium;hydrogen phosphate;methanolate
CID 174908769
dipotassium;trisodium;hydrogen phosphate;phosphate
CID 22665013
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659
aluminum;sodium;hydrogen phosphate;hydrate
CID 138394889
azane;hydrogen phosphate;iron;hydrofluoride
CID 170853456
disodium;hydrogen phosphate;phosphoric acid;dodecahydrate
CID 174809343
bis(chromium(3+));hydrogen phosphate
CID 19708255
sodium dihydroxy(32P)phosphinate
CID 23694678

Frequently Asked Questions

What is the IUPAC name of disodium;dioxetane;hydrogen phosphate?
The IUPAC name of disodium;dioxetane;hydrogen phosphate (CID 162093678) is disodium;dioxetane;hydrogen phosphate.
What is the SMILES notation for disodium;dioxetane;hydrogen phosphate?
The canonical SMILES for disodium;dioxetane;hydrogen phosphate is C1COO1.O=P([O-])([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;dioxetane;hydrogen phosphate?
The InChIKey is ZDYMMYRGXRGTKG-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4O2.2Na.H3O4P/c1-2-4-3-1;;;1-5(2,3)4/h1-2H2;;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;dioxetane;hydrogen phosphate?
disodium;dioxetane;hydrogen phosphate has a molecular weight of 202.01 g/mol, XLogP of -8.24, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dioxetane;hydrogen phosphate is sourced from PubChem (CID 162093678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).