disodium;disulfate;hydrate

H2Na2O9S2-2 — CID 20976610

IUPACdisodium;disulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/2Na.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);1H2/q2*+1;;;/p-4
InChIKeyKBIWVMXNRFRQHB-UHFFFAOYSA-J
MW256.12 g/mol
LogP-9.49
Rot. Bonds

About disodium;disulfate;hydrate

disodium;disulfate;hydrate (PubChem CID 20976610) has the molecular formula H2Na2O9S2-2 and a molecular weight of 256.12 g/mol. Its IUPAC name is disodium;disulfate;hydrate.

Molecular Properties

Compound Namedisodium;disulfate;hydrate
PubChem CID20976610
Molecular FormulaH2Na2O9S2-2
Molecular Weight256.12 g/mol
Exact Mass255.89
IUPAC Namedisodium;disulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/2Na.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);1H2/q2*+1;;;/p-4
InChIKeyKBIWVMXNRFRQHB-UHFFFAOYSA-J
XLogP-9.49
TPSA192.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 5-9.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

sodium;sulfate;heptahydrate
CID 18522796
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;dotriacontahydrate
CID 172707347
bis(ytterbium(3+));trisulfate;octahydrate
CID 25022290
tris(ytterbium(3+));disulfate;octahydrate
CID 131676103
copper;tetrasodium;trisulfate
CID 158226440
trisodium;bromide;sulfate
CID 173076247
copper;disulfate;hydrate
CID 44601134

Frequently Asked Questions

What is the IUPAC name of disodium;disulfate;hydrate?
The IUPAC name of disodium;disulfate;hydrate (CID 20976610) is disodium;disulfate;hydrate.
What is the SMILES notation for disodium;disulfate;hydrate?
The canonical SMILES for disodium;disulfate;hydrate is O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;disulfate;hydrate?
The InChIKey is KBIWVMXNRFRQHB-UHFFFAOYSA-J. The full InChI is InChI=1S/2Na.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);1H2/q2*+1;;;/p-4.
What are the key properties of disodium;disulfate;hydrate?
disodium;disulfate;hydrate has a molecular weight of 256.12 g/mol, XLogP of -9.49, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;disulfate;hydrate is sourced from PubChem (CID 20976610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).