dipotassium;azane;phosphoric acid;urea;sulfate

C2H20K2N7O10PS — CID 173276292

IUPACdipotassium;azane;phosphoric acid;urea;sulfate
SMILESN.N.N.NC(N)=O.NC(N)=O.O=P(O)(O)O.O=S(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/2CH4N2O.2K.3H3N.H3O4P.H2O4S/c2*2-1(3)4;;;;;;2*1-5(2,3)4/h2*(H4,2,3,4);;;3*1H3;(H3,1,2,3,4);(H2,1,2,3,4)/q;;2*+1;;;;;/p-2
InChIKeyYEBUVDLBXWXWON-UHFFFAOYSA-L
MW443.46 g/mol
LogP-9.73
Rot. Bonds

About dipotassium;azane;phosphoric acid;urea;sulfate

dipotassium;azane;phosphoric acid;urea;sulfate (PubChem CID 173276292) has the molecular formula C2H20K2N7O10PS and a molecular weight of 443.46 g/mol. Its IUPAC name is dipotassium;azane;phosphoric acid;urea;sulfate.

Molecular Properties

Compound Namedipotassium;azane;phosphoric acid;urea;sulfate
PubChem CID173276292
Molecular FormulaC2H20K2N7O10PS
Molecular Weight443.46 g/mol
Exact Mass443.00
IUPAC Namedipotassium;azane;phosphoric acid;urea;sulfate
SMILESN.N.N.NC(N)=O.NC(N)=O.O=P(O)(O)O.O=S(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/2CH4N2O.2K.3H3N.H3O4P.H2O4S/c2*2-1(3)4;;;;;;2*1-5(2,3)4/h2*(H4,2,3,4);;;3*1H3;(H3,1,2,3,4);(H2,1,2,3,4)/q;;2*+1;;;;;/p-2
InChIKeyYEBUVDLBXWXWON-UHFFFAOYSA-L
XLogP-9.73
TPSA401.24 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.46
LogP ≤ 5-9.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

azane;phosphoric acid;sulfuric acid;urea
CID 173445990
azanium;urea;disulfate
CID 23111519
barium(2+);phosphoric acid;sulfate
CID 158725602
magnesium;potassium;azane;phosphoric acid;nitrate;sulfate
CID 174550848
sodium;azane;hydrogen sulfate;phosphoric acid
CID 174408552
azane;phosphoric acid;sulfuric acid
CID 173395945
potassium;sodium;azane;hydride;phosphoric acid;sulfuric acid
CID 173414415
azanium;calcium;dihydrogen phosphate;sulfate
CID 162180049
potassium;azane;dihydrogen phosphate;sulfuric acid
CID 174800048
potassium;azane;phosphoric acid;acetate
CID 175960503
lithium;azane;hydride;phosphoric acid
CID 173015565
azane;hydroxylamine;phosphoric acid
CID 173277328

Frequently Asked Questions

What is the IUPAC name of dipotassium;azane;phosphoric acid;urea;sulfate?
The IUPAC name of dipotassium;azane;phosphoric acid;urea;sulfate (CID 173276292) is dipotassium;azane;phosphoric acid;urea;sulfate.
What is the SMILES notation for dipotassium;azane;phosphoric acid;urea;sulfate?
The canonical SMILES for dipotassium;azane;phosphoric acid;urea;sulfate is N.N.N.NC(N)=O.NC(N)=O.O=P(O)(O)O.O=S(=O)([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;azane;phosphoric acid;urea;sulfate?
The InChIKey is YEBUVDLBXWXWON-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH4N2O.2K.3H3N.H3O4P.H2O4S/c2*2-1(3)4;;;;;;2*1-5(2,3)4/h2*(H4,2,3,4);;;3*1H3;(H3,1,2,3,4);(H2,1,2,3,4)/q;;2*+1;;;;;/p-2.
What are the key properties of dipotassium;azane;phosphoric acid;urea;sulfate?
dipotassium;azane;phosphoric acid;urea;sulfate has a molecular weight of 443.46 g/mol, XLogP of -9.73, 0 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;azane;phosphoric acid;urea;sulfate is sourced from PubChem (CID 173276292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).