potassium;sodium;phosphono dihydrogen phosphate;carbonate

CH4KNaO10P2 — CID 159482334

IUPACpotassium;sodium;phosphono dihydrogen phosphate;carbonate
SMILESO=C([O-])[O-].O=P(O)(O)OP(=O)(O)O.[K+].[Na+]
InChIInChI=1S/CH2O3.K.Na.H4O7P2/c2-1(3)4;;;1-8(2,3)7-9(4,5)6/h(H2,2,3,4);;;(H2,1,2,3)(H2,4,5,6)/q;2*+1;/p-2
InChIKeyLXDPQSLCNYNWCE-UHFFFAOYSA-L
MW300.07 g/mol
LogP-9.25
Rot. Bonds2

About potassium;sodium;phosphono dihydrogen phosphate;carbonate

potassium;sodium;phosphono dihydrogen phosphate;carbonate (PubChem CID 159482334) has the molecular formula CH4KNaO10P2 and a molecular weight of 300.07 g/mol. Its IUPAC name is potassium;sodium;phosphono dihydrogen phosphate;carbonate.

Molecular Properties

Compound Namepotassium;sodium;phosphono dihydrogen phosphate;carbonate
PubChem CID159482334
Molecular FormulaCH4KNaO10P2
Molecular Weight300.07 g/mol
Exact Mass299.88
IUPAC Namepotassium;sodium;phosphono dihydrogen phosphate;carbonate
SMILESO=C([O-])[O-].O=P(O)(O)OP(=O)(O)O.[K+].[Na+]
InChIInChI=1S/CH2O3.K.Na.H4O7P2/c2-1(3)4;;;1-8(2,3)7-9(4,5)6/h(H2,2,3,4);;;(H2,1,2,3)(H2,4,5,6)/q;2*+1;/p-2
InChIKeyLXDPQSLCNYNWCE-UHFFFAOYSA-L
XLogP-9.25
TPSA187.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 5-9.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of potassium;sodium;phosphono dihydrogen phosphate;carbonate?
The IUPAC name of potassium;sodium;phosphono dihydrogen phosphate;carbonate (CID 159482334) is potassium;sodium;phosphono dihydrogen phosphate;carbonate.
What is the SMILES notation for potassium;sodium;phosphono dihydrogen phosphate;carbonate?
The canonical SMILES for potassium;sodium;phosphono dihydrogen phosphate;carbonate is O=C([O-])[O-].O=P(O)(O)OP(=O)(O)O.[K+].[Na+].
What is the InChIKey of potassium;sodium;phosphono dihydrogen phosphate;carbonate?
The InChIKey is LXDPQSLCNYNWCE-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.K.Na.H4O7P2/c2-1(3)4;;;1-8(2,3)7-9(4,5)6/h(H2,2,3,4);;;(H2,1,2,3)(H2,4,5,6)/q;2*+1;/p-2.
What are the key properties of potassium;sodium;phosphono dihydrogen phosphate;carbonate?
potassium;sodium;phosphono dihydrogen phosphate;carbonate has a molecular weight of 300.07 g/mol, XLogP of -9.25, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;phosphono dihydrogen phosphate;carbonate is sourced from PubChem (CID 159482334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).