azane;phosphoric acid;sulfuric acid;urea

CH24N7O9PS — CID 173445990

IUPACazane;phosphoric acid;sulfuric acid;urea
SMILESN.N.N.N.N.NC(N)=O.O=P(O)(O)O.O=S(=O)(O)O
InChIInChI=1S/CH4N2O.5H3N.H3O4P.H2O4S/c2-1(3)4;;;;;;2*1-5(2,3)4/h(H4,2,3,4);5*1H3;(H3,1,2,3,4);(H2,1,2,3,4)
InChIKeyMCKQICYZLZPZRU-UHFFFAOYSA-N
MW341.28 g/mol
LogP-1.75
Rot. Bonds

About azane;phosphoric acid;sulfuric acid;urea

azane;phosphoric acid;sulfuric acid;urea (PubChem CID 173445990) has the molecular formula CH24N7O9PS and a molecular weight of 341.28 g/mol. Its IUPAC name is azane;phosphoric acid;sulfuric acid;urea.

Molecular Properties

Compound Nameazane;phosphoric acid;sulfuric acid;urea
PubChem CID173445990
Molecular FormulaCH24N7O9PS
Molecular Weight341.28 g/mol
Exact Mass341.11
IUPAC Nameazane;phosphoric acid;sulfuric acid;urea
SMILESN.N.N.N.N.NC(N)=O.O=P(O)(O)O.O=S(=O)(O)O
InChIInChI=1S/CH4N2O.5H3N.H3O4P.H2O4S/c2-1(3)4;;;;;;2*1-5(2,3)4/h(H4,2,3,4);5*1H3;(H3,1,2,3,4);(H2,1,2,3,4)
InChIKeyMCKQICYZLZPZRU-UHFFFAOYSA-N
XLogP-1.75
TPSA396.47 Ų
H-Bond Donors12
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.28
LogP ≤ 5-1.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

azane;phosphoric acid;sulfuric acid
CID 173395945
dipotassium;azane;phosphoric acid;urea;sulfate
CID 173276292
azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid
CID 175414224
alumane;sulfuric acid;urea
CID 173346589
potassium;sodium;azane;hydride;phosphoric acid;sulfuric acid
CID 173414415
alumane;phosphoric acid;sulfuric acid;zinc
CID 174818578
sodium;hydride;sulfuric acid;urea
CID 175229883
phosphoric acid;phosphorous acid;sulfuric acid
CID 157192236
dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid
CID 174825313
boric acid;phosphoric acid;sulfuric acid
CID 159985541
guanidine;sulfuric acid;urea
CID 87661004
sodium;azane;hydrogen sulfate;phosphoric acid
CID 174408552

Frequently Asked Questions

What is the IUPAC name of azane;phosphoric acid;sulfuric acid;urea?
The IUPAC name of azane;phosphoric acid;sulfuric acid;urea (CID 173445990) is azane;phosphoric acid;sulfuric acid;urea.
What is the SMILES notation for azane;phosphoric acid;sulfuric acid;urea?
The canonical SMILES for azane;phosphoric acid;sulfuric acid;urea is N.N.N.N.N.NC(N)=O.O=P(O)(O)O.O=S(=O)(O)O.
What is the InChIKey of azane;phosphoric acid;sulfuric acid;urea?
The InChIKey is MCKQICYZLZPZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.5H3N.H3O4P.H2O4S/c2-1(3)4;;;;;;2*1-5(2,3)4/h(H4,2,3,4);5*1H3;(H3,1,2,3,4);(H2,1,2,3,4).
What are the key properties of azane;phosphoric acid;sulfuric acid;urea?
azane;phosphoric acid;sulfuric acid;urea has a molecular weight of 341.28 g/mol, XLogP of -1.75, 0 rotatable bonds, 12 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphoric acid;sulfuric acid;urea is sourced from PubChem (CID 173445990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).