hydrogen sulfate;nickel(2+);formate

CH2NiO6S — CID 165365843

IUPAChydrogen sulfate;nickel(2+);formate
SMILESO=C[O-].O=S(=O)([O-])O.[Ni+2]
InChIInChI=1S/CH2O2.Ni.H2O4S/c2-1-3;;1-5(2,3)4/h1H,(H,2,3);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeySDSAANKSFSLSCK-UHFFFAOYSA-L
MW200.78 g/mol
LogP-2.63
Rot. Bonds

About hydrogen sulfate;nickel(2+);formate

hydrogen sulfate;nickel(2+);formate (PubChem CID 165365843) has the molecular formula CH2NiO6S and a molecular weight of 200.78 g/mol. Its IUPAC name is hydrogen sulfate;nickel(2+);formate.

Molecular Properties

Compound Namehydrogen sulfate;nickel(2+);formate
PubChem CID165365843
Molecular FormulaCH2NiO6S
Molecular Weight200.78 g/mol
Exact Mass199.89
IUPAC Namehydrogen sulfate;nickel(2+);formate
SMILESO=C[O-].O=S(=O)([O-])O.[Ni+2]
InChIInChI=1S/CH2O2.Ni.H2O4S/c2-1-3;;1-5(2,3)4/h1H,(H,2,3);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeySDSAANKSFSLSCK-UHFFFAOYSA-L
XLogP-2.63
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.78
LogP ≤ 5-2.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;nickel(2+);formate?
The IUPAC name of hydrogen sulfate;nickel(2+);formate (CID 165365843) is hydrogen sulfate;nickel(2+);formate.
What is the SMILES notation for hydrogen sulfate;nickel(2+);formate?
The canonical SMILES for hydrogen sulfate;nickel(2+);formate is O=C[O-].O=S(=O)([O-])O.[Ni+2].
What is the InChIKey of hydrogen sulfate;nickel(2+);formate?
The InChIKey is SDSAANKSFSLSCK-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O2.Ni.H2O4S/c2-1-3;;1-5(2,3)4/h1H,(H,2,3);;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of hydrogen sulfate;nickel(2+);formate?
hydrogen sulfate;nickel(2+);formate has a molecular weight of 200.78 g/mol, XLogP of -2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;nickel(2+);formate is sourced from PubChem (CID 165365843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).