calcium;azane;formic acid;sulfate

C2H10CaN2O8S — CID 173239682

IUPACcalcium;azane;formic acid;sulfate
SMILESN.N.O=CO.O=CO.O=S(=O)([O-])[O-].[Ca+2]
InChIInChI=1S/2CH2O2.Ca.2H3N.H2O4S/c2*2-1-3;;;;1-5(2,3)4/h2*1H,(H,2,3);;2*1H3;(H2,1,2,3,4)/q;;+2;;;/p-2
InChIKeyVAICRUWHXXGMHJ-UHFFFAOYSA-L
MW262.25 g/mol
LogP-1.99
Rot. Bonds

About calcium;azane;formic acid;sulfate

calcium;azane;formic acid;sulfate (PubChem CID 173239682) has the molecular formula C2H10CaN2O8S and a molecular weight of 262.25 g/mol. Its IUPAC name is calcium;azane;formic acid;sulfate.

Molecular Properties

Compound Namecalcium;azane;formic acid;sulfate
PubChem CID173239682
Molecular FormulaC2H10CaN2O8S
Molecular Weight262.25 g/mol
Exact Mass261.98
IUPAC Namecalcium;azane;formic acid;sulfate
SMILESN.N.O=CO.O=CO.O=S(=O)([O-])[O-].[Ca+2]
InChIInChI=1S/2CH2O2.Ca.2H3N.H2O4S/c2*2-1-3;;;;1-5(2,3)4/h2*1H,(H,2,3);;2*1H3;(H2,1,2,3,4)/q;;+2;;;/p-2
InChIKeyVAICRUWHXXGMHJ-UHFFFAOYSA-L
XLogP-1.99
TPSA224.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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molybdenum trisulfate
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azane;formic acid
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CID 173083676
bis(ytterbium(3+));trisulfate;octahydrate
CID 25022290
tris(ytterbium(3+));disulfate;octahydrate
CID 131676103
dialuminum;azane;trisulfate
CID 162155336
calcium;copper;sulfate
CID 173106977
calcium;sulfate;heptahydrate
CID 140700884
calcium;nickel(2+);dihydroxide;sulfate
CID 174314287
azane;formic acid;sulfane
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calcium;vanadium;sulfate
CID 158688101

Frequently Asked Questions

What is the IUPAC name of calcium;azane;formic acid;sulfate?
The IUPAC name of calcium;azane;formic acid;sulfate (CID 173239682) is calcium;azane;formic acid;sulfate.
What is the SMILES notation for calcium;azane;formic acid;sulfate?
The canonical SMILES for calcium;azane;formic acid;sulfate is N.N.O=CO.O=CO.O=S(=O)([O-])[O-].[Ca+2].
What is the InChIKey of calcium;azane;formic acid;sulfate?
The InChIKey is VAICRUWHXXGMHJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH2O2.Ca.2H3N.H2O4S/c2*2-1-3;;;;1-5(2,3)4/h2*1H,(H,2,3);;2*1H3;(H2,1,2,3,4)/q;;+2;;;/p-2.
What are the key properties of calcium;azane;formic acid;sulfate?
calcium;azane;formic acid;sulfate has a molecular weight of 262.25 g/mol, XLogP of -1.99, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;azane;formic acid;sulfate is sourced from PubChem (CID 173239682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).