disodium;dihydrogen phosphate;acetate

C2H5Na2O6P — CID 86638819

IUPACdisodium;dihydrogen phosphate;acetate
SMILESCC(=O)[O-].O=P([O-])(O)O.[Na+].[Na+]
InChIInChI=1S/C2H4O2.2Na.H3O4P/c1-2(3)4;;;1-5(2,3)4/h1H3,(H,3,4);;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyQTFZTELEUJQMCT-UHFFFAOYSA-L
MW202.01 g/mol
LogP-8.80
Rot. Bonds

About disodium;dihydrogen phosphate;acetate

disodium;dihydrogen phosphate;acetate (PubChem CID 86638819) has the molecular formula C2H5Na2O6P and a molecular weight of 202.01 g/mol. Its IUPAC name is disodium;dihydrogen phosphate;acetate.

Molecular Properties

Compound Namedisodium;dihydrogen phosphate;acetate
PubChem CID86638819
Molecular FormulaC2H5Na2O6P
Molecular Weight202.01 g/mol
Exact Mass201.96
IUPAC Namedisodium;dihydrogen phosphate;acetate
SMILESCC(=O)[O-].O=P([O-])(O)O.[Na+].[Na+]
InChIInChI=1S/C2H4O2.2Na.H3O4P/c1-2(3)4;;;1-5(2,3)4/h1H3,(H,3,4);;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyQTFZTELEUJQMCT-UHFFFAOYSA-L
XLogP-8.80
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 5-8.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trisodium;dihydrogen phosphate;acetate;chloride
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magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate
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calcium;sodium;dihydrogen phosphate;carbonate
CID 142655218
trisodium;butanedioate;dihydrogen phosphate
CID 160603820
nonasodium;nonaacetate
CID 173443222
sodium dihydroxy(32P)phosphinate
CID 23694678
potassium;azane;phosphoric acid;acetate
CID 175960503
azanide;platinum(2+);acetate
CID 11988358
tetrasodium;tetraacetate;hydrate
CID 141360802
sodium;hydron;triacetate
CID 173121634
sodium;acetate;trihydrofluoride
CID 172761892
sodium;acetate;trihydrate
CID 23665404

Frequently Asked Questions

What is the IUPAC name of disodium;dihydrogen phosphate;acetate?
The IUPAC name of disodium;dihydrogen phosphate;acetate (CID 86638819) is disodium;dihydrogen phosphate;acetate.
What is the SMILES notation for disodium;dihydrogen phosphate;acetate?
The canonical SMILES for disodium;dihydrogen phosphate;acetate is CC(=O)[O-].O=P([O-])(O)O.[Na+].[Na+].
What is the InChIKey of disodium;dihydrogen phosphate;acetate?
The InChIKey is QTFZTELEUJQMCT-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4O2.2Na.H3O4P/c1-2(3)4;;;1-5(2,3)4/h1H3,(H,3,4);;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;dihydrogen phosphate;acetate?
disodium;dihydrogen phosphate;acetate has a molecular weight of 202.01 g/mol, XLogP of -8.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dihydrogen phosphate;acetate is sourced from PubChem (CID 86638819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).