azane;sulfuric acid

H485N157O28S7 — CID 173165368

IUPACazane;sulfuric acid
SMILESN.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/157H3N.7H2O4S/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;7*1-5(2,3)4/h157*1H3;7*(H2,1,2,3,4)
InChIKeyKKMQLFCJAPQZCH-UHFFFAOYSA-N
MW3360.42 g/mol
LogP20.86
Rot. Bonds

About azane;sulfuric acid

azane;sulfuric acid (PubChem CID 173165368) has the molecular formula H485N157O28S7 and a molecular weight of 3360.42 g/mol. Its IUPAC name is azane;sulfuric acid.

Molecular Properties

Compound Nameazane;sulfuric acid
PubChem CID173165368
Molecular FormulaH485N157O28S7
Molecular Weight3360.42 g/mol
Exact Mass3358.94
IUPAC Nameazane;sulfuric acid
SMILESN.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/157H3N.7H2O4S/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;7*1-5(2,3)4/h157*1H3;7*(H2,1,2,3,4)
InChIKeyKKMQLFCJAPQZCH-UHFFFAOYSA-N
XLogP20.86
TPSA6017.20 Ų
H-Bond Donors171
H-Bond Acceptors171
Rotatable Bonds
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003360.42
LogP ≤ 520.86
H-Bond Donors ≤ 5171
H-Bond Acceptors ≤ 10171

Computed Properties (RDKit)

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

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Related Compounds

azane;sulfuric acid;hydrofluoride
CID 173370873
CID 156593771
CID 156593771
azane;manganese;sulfuric acid
CID 173191641
azane;hydron;sulfuric acid
CID 174304234
azane;sulfuric acid;hexahydrate
CID 173404062
azane;methane;sulfuric acid
CID 174862240
azane;sulfuric acid;dihydrochloride
CID 173220026
azane;sulfuric acid;vanadium
CID 174940047
azane;barium(2+);hydride;sulfuric acid
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azane;nickel;sulfuric acid;hexahydrate
CID 131859332
CID 173151388
CID 173151388
CID 131843239
CID 131843239

Frequently Asked Questions

What is the IUPAC name of azane;sulfuric acid?
The IUPAC name of azane;sulfuric acid (CID 173165368) is azane;sulfuric acid.
What is the SMILES notation for azane;sulfuric acid?
The canonical SMILES for azane;sulfuric acid is N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of azane;sulfuric acid?
The InChIKey is KKMQLFCJAPQZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/157H3N.7H2O4S/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;7*1-5(2,3)4/h157*1H3;7*(H2,1,2,3,4).
What are the key properties of azane;sulfuric acid?
azane;sulfuric acid has a molecular weight of 3360.42 g/mol, XLogP of 20.86, 0 rotatable bonds, 171 hydrogen bond donors, and 171 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfuric acid is sourced from PubChem (CID 173165368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).