disodium;2-sulfonatooxyethyl sulfate

C2H4Na2O8S2 — CID 11993668

IUPACdisodium;2-sulfonatooxyethyl sulfate
SMILESO=S(=O)([O-])OCCOS(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C2H6O8S2.2Na/c3-11(4,5)9-1-2-10-12(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
InChIKeyCJNVCYNYDISOGM-UHFFFAOYSA-L
MW266.16 g/mol
LogP-8.05
Rot. Bonds5

About disodium;2-sulfonatooxyethyl sulfate

disodium;2-sulfonatooxyethyl sulfate (PubChem CID 11993668) has the molecular formula C2H4Na2O8S2 and a molecular weight of 266.16 g/mol. Its IUPAC name is disodium;2-sulfonatooxyethyl sulfate.

Molecular Properties

Compound Namedisodium;2-sulfonatooxyethyl sulfate
PubChem CID11993668
Molecular FormulaC2H4Na2O8S2
Molecular Weight266.16 g/mol
Exact Mass265.91
IUPAC Namedisodium;2-sulfonatooxyethyl sulfate
SMILESO=S(=O)([O-])OCCOS(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C2H6O8S2.2Na/c3-11(4,5)9-1-2-10-12(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
InChIKeyCJNVCYNYDISOGM-UHFFFAOYSA-L
XLogP-8.05
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 5-8.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;2-sulfonatooxyethyl sulfate?
The IUPAC name of disodium;2-sulfonatooxyethyl sulfate (CID 11993668) is disodium;2-sulfonatooxyethyl sulfate.
What is the SMILES notation for disodium;2-sulfonatooxyethyl sulfate?
The canonical SMILES for disodium;2-sulfonatooxyethyl sulfate is O=S(=O)([O-])OCCOS(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-sulfonatooxyethyl sulfate?
The InChIKey is CJNVCYNYDISOGM-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6O8S2.2Na/c3-11(4,5)9-1-2-10-12(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2.
What are the key properties of disodium;2-sulfonatooxyethyl sulfate?
disodium;2-sulfonatooxyethyl sulfate has a molecular weight of 266.16 g/mol, XLogP of -8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-sulfonatooxyethyl sulfate is sourced from PubChem (CID 11993668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).