sodium;sulfate;heptahydrate

H14NaO11S- — CID 18522796

IUPACsodium;sulfate;heptahydrate
SMILESO.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Na+]
InChIInChI=1S/Na.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+1;;;;;;;;/p-2
InChIKeyIJZFEAPLDVFOFM-UHFFFAOYSA-L
MW245.16 g/mol
LogP-10.11
Rot. Bonds

About sodium;sulfate;heptahydrate

sodium;sulfate;heptahydrate (PubChem CID 18522796) has the molecular formula H14NaO11S- and a molecular weight of 245.16 g/mol. Its IUPAC name is sodium;sulfate;heptahydrate.

Molecular Properties

Compound Namesodium;sulfate;heptahydrate
PubChem CID18522796
Molecular FormulaH14NaO11S-
Molecular Weight245.16 g/mol
Exact Mass245.02
IUPAC Namesodium;sulfate;heptahydrate
SMILESO.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Na+]
InChIInChI=1S/Na.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+1;;;;;;;;/p-2
InChIKeyIJZFEAPLDVFOFM-UHFFFAOYSA-L
XLogP-10.11
TPSA300.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 5-10.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;disulfate;hydrate
CID 20976610
sodium;vanadium;trisulfate;hydrate
CID 158094000
CID 57377209
CID 57377209
sulfate trihydrate
CID 22613957
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
dialuminum;trisulfate;tetrahydrate
CID 169423459
sodium;rhodium(3+);disulfate
CID 172743239
bis(cerium(3+));trisulfate;pentahydrate
CID 57370410
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
bis(ytterbium(3+));trisulfate;octahydrate
CID 25022290
tris(ytterbium(3+));disulfate;octahydrate
CID 131676103

Frequently Asked Questions

What is the IUPAC name of sodium;sulfate;heptahydrate?
The IUPAC name of sodium;sulfate;heptahydrate (CID 18522796) is sodium;sulfate;heptahydrate.
What is the SMILES notation for sodium;sulfate;heptahydrate?
The canonical SMILES for sodium;sulfate;heptahydrate is O.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Na+].
What is the InChIKey of sodium;sulfate;heptahydrate?
The InChIKey is IJZFEAPLDVFOFM-UHFFFAOYSA-L. The full InChI is InChI=1S/Na.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+1;;;;;;;;/p-2.
What are the key properties of sodium;sulfate;heptahydrate?
sodium;sulfate;heptahydrate has a molecular weight of 245.16 g/mol, XLogP of -10.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;sulfate;heptahydrate is sourced from PubChem (CID 18522796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).