disodium;azane;sulfonatooxy sulfate

H3NNa2O8S2 — CID 174725660

IUPACdisodium;azane;sulfonatooxy sulfate
SMILESN.O=S(=O)([O-])OOS(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/H3N.2Na.H2O8S2/c;;;1-9(2,3)7-8-10(4,5)6/h1H3;;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2
InChIKeySFNOLDNPAYISLR-UHFFFAOYSA-L
MW255.14 g/mol
LogP-7.97
Rot. Bonds3

About disodium;azane;sulfonatooxy sulfate

disodium;azane;sulfonatooxy sulfate (PubChem CID 174725660) has the molecular formula H3NNa2O8S2 and a molecular weight of 255.14 g/mol. Its IUPAC name is disodium;azane;sulfonatooxy sulfate.

Molecular Properties

Compound Namedisodium;azane;sulfonatooxy sulfate
PubChem CID174725660
Molecular FormulaH3NNa2O8S2
Molecular Weight255.14 g/mol
Exact Mass254.91
IUPAC Namedisodium;azane;sulfonatooxy sulfate
SMILESN.O=S(=O)([O-])OOS(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/H3N.2Na.H2O8S2/c;;;1-9(2,3)7-8-10(4,5)6/h1H3;;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2
InChIKeySFNOLDNPAYISLR-UHFFFAOYSA-L
XLogP-7.97
TPSA167.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 5-7.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

dicalcium sulfonatooxy sulfate
CID 159780487
strontium sulfonatooxy sulfate
CID 21114005
dipotassium;sulfonatooxy sulfate
CID 516926
bis(rubidium(1+));sulfonatooxy sulfate
CID 18406061
lithium;potassium;sulfonatooxy sulfate
CID 175555490
disodium;sulfonatooxy sulfate;sulfurous acid
CID 22019774
diazanium;sulfonatooxy sulfate;bis(sulfur dioxide)
CID 19430598
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
potassium;sodium;permanganic acid;sulfonatooxy sulfate
CID 175104604
trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate
CID 173499808
oxidooxy sulfate
CID 135037388
iron(2+);sulfonatooxy sulfate;sulfuric acid;sulfurous acid
CID 173385794

Frequently Asked Questions

What is the IUPAC name of disodium;azane;sulfonatooxy sulfate?
The IUPAC name of disodium;azane;sulfonatooxy sulfate (CID 174725660) is disodium;azane;sulfonatooxy sulfate.
What is the SMILES notation for disodium;azane;sulfonatooxy sulfate?
The canonical SMILES for disodium;azane;sulfonatooxy sulfate is N.O=S(=O)([O-])OOS(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;azane;sulfonatooxy sulfate?
The InChIKey is SFNOLDNPAYISLR-UHFFFAOYSA-L. The full InChI is InChI=1S/H3N.2Na.H2O8S2/c;;;1-9(2,3)7-8-10(4,5)6/h1H3;;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2.
What are the key properties of disodium;azane;sulfonatooxy sulfate?
disodium;azane;sulfonatooxy sulfate has a molecular weight of 255.14 g/mol, XLogP of -7.97, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;azane;sulfonatooxy sulfate is sourced from PubChem (CID 174725660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).