sulfuric acid;tridecahydrate

H28O17S — CID 71366893

IUPACsulfuric acid;tridecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(O)O
InChIInChI=1S/H2O4S.13H2O/c1-5(2,3)4;;;;;;;;;;;;;/h(H2,1,2,3,4);13*1H2
InChIKeyMSRGOHLAPSTHQS-UHFFFAOYSA-N
MW332.27 g/mol
LogP-11.37
Rot. Bonds

About sulfuric acid;tridecahydrate

sulfuric acid;tridecahydrate (PubChem CID 71366893) has the molecular formula H28O17S and a molecular weight of 332.27 g/mol. Its IUPAC name is sulfuric acid;tridecahydrate.

Molecular Properties

Compound Namesulfuric acid;tridecahydrate
PubChem CID71366893
Molecular FormulaH28O17S
Molecular Weight332.27 g/mol
Exact Mass332.10
IUPAC Namesulfuric acid;tridecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(O)O
InChIInChI=1S/H2O4S.13H2O/c1-5(2,3)4;;;;;;;;;;;;;/h(H2,1,2,3,4);13*1H2
InChIKeyMSRGOHLAPSTHQS-UHFFFAOYSA-N
XLogP-11.37
TPSA484.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 5-11.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alumane;sulfuric acid;hexahydrate
CID 174932074
methane;sulfuric acid;hydrate
CID 174518914
chromium;sulfuric acid;hydrate
CID 174869270
iron;sulfuric acid;hydrate
CID 516917
sulfuric acid;zinc;trihydrate
CID 173220597
bis(scandium);sulfuric acid;octahydrate
CID 86222721
platinum;sulfuric acid;tetrahydrate
CID 131883452
chromium;sulfuric acid;tetrahydrate
CID 173200783
cerium;sulfuric acid;nonahydrate
CID 173422966
europium;sulfuric acid;trihydrate
CID 175365379
sulfuric acid;zinc;heptahydrate
CID 174726437
λ2-plumbane;sulfuric acid;trihydrate
CID 175526604

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;tridecahydrate?
The IUPAC name of sulfuric acid;tridecahydrate (CID 71366893) is sulfuric acid;tridecahydrate.
What is the SMILES notation for sulfuric acid;tridecahydrate?
The canonical SMILES for sulfuric acid;tridecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;tridecahydrate?
The InChIKey is MSRGOHLAPSTHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O4S.13H2O/c1-5(2,3)4;;;;;;;;;;;;;/h(H2,1,2,3,4);13*1H2.
What are the key properties of sulfuric acid;tridecahydrate?
sulfuric acid;tridecahydrate has a molecular weight of 332.27 g/mol, XLogP of -11.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;tridecahydrate is sourced from PubChem (CID 71366893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).