calcium;manganese(2+);carbonate;sulfate

CCaMnO7S — CID 161081883

IUPACcalcium;manganese(2+);carbonate;sulfate
SMILESO=C([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[Mn+2]
InChIInChI=1S/CH2O3.Ca.Mn.H2O4S/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H2,1,2,3,4)/q;2*+2;/p-4
InChIKeyUGADNKYIZJPMIV-UHFFFAOYSA-J
MW251.09 g/mol
LogP-4.17
Rot. Bonds

About calcium;manganese(2+);carbonate;sulfate

calcium;manganese(2+);carbonate;sulfate (PubChem CID 161081883) has the molecular formula CCaMnO7S and a molecular weight of 251.09 g/mol. Its IUPAC name is calcium;manganese(2+);carbonate;sulfate.

Molecular Properties

Compound Namecalcium;manganese(2+);carbonate;sulfate
PubChem CID161081883
Molecular FormulaCCaMnO7S
Molecular Weight251.09 g/mol
Exact Mass250.84
IUPAC Namecalcium;manganese(2+);carbonate;sulfate
SMILESO=C([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[Mn+2]
InChIInChI=1S/CH2O3.Ca.Mn.H2O4S/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H2,1,2,3,4)/q;2*+2;/p-4
InChIKeyUGADNKYIZJPMIV-UHFFFAOYSA-J
XLogP-4.17
TPSA143.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 5-4.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 calcium;manganese(2+);carbonate;sulfate?
The IUPAC name of calcium;manganese(2+);carbonate;sulfate (CID 161081883) is calcium;manganese(2+);carbonate;sulfate.
What is the SMILES notation for calcium;manganese(2+);carbonate;sulfate?
The canonical SMILES for calcium;manganese(2+);carbonate;sulfate is O=C([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[Mn+2].
What is the InChIKey of calcium;manganese(2+);carbonate;sulfate?
The InChIKey is UGADNKYIZJPMIV-UHFFFAOYSA-J. The full InChI is InChI=1S/CH2O3.Ca.Mn.H2O4S/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H2,1,2,3,4)/q;2*+2;/p-4.
What are the key properties of calcium;manganese(2+);carbonate;sulfate?
calcium;manganese(2+);carbonate;sulfate has a molecular weight of 251.09 g/mol, XLogP of -4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;manganese(2+);carbonate;sulfate is sourced from PubChem (CID 161081883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).