ethyl hydrogen sulfate;neodymium(3+)

C2H6NdO4S+3 — CID 139594973

IUPACethyl hydrogen sulfate;neodymium(3+)
SMILESCCOS(=O)(=O)O.[Nd+3]
InChIInChI=1S/C2H6O4S.Nd/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+3
InChIKeyFTYCPMWUOWEQTF-UHFFFAOYSA-N
MW270.37 g/mol
LogP-0.17
Rot. Bonds2

About ethyl hydrogen sulfate;neodymium(3+)

ethyl hydrogen sulfate;neodymium(3+) (PubChem CID 139594973) has the molecular formula C2H6NdO4S+3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl hydrogen sulfate;neodymium(3+).

Molecular Properties

Compound Nameethyl hydrogen sulfate;neodymium(3+)
PubChem CID139594973
Molecular FormulaC2H6NdO4S+3
Molecular Weight270.37 g/mol
Exact Mass267.90
IUPAC Nameethyl hydrogen sulfate;neodymium(3+)
SMILESCCOS(=O)(=O)O.[Nd+3]
InChIInChI=1S/C2H6O4S.Nd/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+3
InChIKeyFTYCPMWUOWEQTF-UHFFFAOYSA-N
XLogP-0.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen sulfate;neodymium(3+)?
The IUPAC name of ethyl hydrogen sulfate;neodymium(3+) (CID 139594973) is ethyl hydrogen sulfate;neodymium(3+).
What is the SMILES notation for ethyl hydrogen sulfate;neodymium(3+)?
The canonical SMILES for ethyl hydrogen sulfate;neodymium(3+) is CCOS(=O)(=O)O.[Nd+3].
What is the InChIKey of ethyl hydrogen sulfate;neodymium(3+)?
The InChIKey is FTYCPMWUOWEQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.Nd/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+3.
What are the key properties of ethyl hydrogen sulfate;neodymium(3+)?
ethyl hydrogen sulfate;neodymium(3+) has a molecular weight of 270.37 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen sulfate;neodymium(3+) is sourced from PubChem (CID 139594973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).