dicalcium;carboxyoxy hydrogen carbonate;hydride

C2H6Ca2O6 — CID 173048149

IUPACdicalcium;carboxyoxy hydrogen carbonate;hydride
SMILESO=C(O)OOC(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/C2H2O6.2Ca.4H/c3-1(4)7-8-2(5)6;;;;;;/h(H,3,4)(H,5,6);;;;;;/q;2*+2;4*-1
InChIKeyXTYMHAGGDCJJPM-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.02
Rot. Bonds

About dicalcium;carboxyoxy hydrogen carbonate;hydride

dicalcium;carboxyoxy hydrogen carbonate;hydride (PubChem CID 173048149) has the molecular formula C2H6Ca2O6 and a molecular weight of 206.22 g/mol. Its IUPAC name is dicalcium;carboxyoxy hydrogen carbonate;hydride.

Molecular Properties

Compound Namedicalcium;carboxyoxy hydrogen carbonate;hydride
PubChem CID173048149
Molecular FormulaC2H6Ca2O6
Molecular Weight206.22 g/mol
Exact Mass205.94
IUPAC Namedicalcium;carboxyoxy hydrogen carbonate;hydride
SMILESO=C(O)OOC(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/C2H2O6.2Ca.4H/c3-1(4)7-8-2(5)6;;;;;;/h(H,3,4)(H,5,6);;;;;;/q;2*+2;4*-1
InChIKeyXTYMHAGGDCJJPM-UHFFFAOYSA-N
XLogP-0.02
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

carboxyoxy hydrogen carbonate;neodymium
CID 174688278
CID 87206652
CID 87206652
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
magnesium;alumanyl hydrogen carbonate;hydride
CID 173054803
carboxyperoxy hydrogen carbonate;uranium
CID 90091510
calcium;chloro hydrogen carbonate;hydride
CID 174258358
tricalcium;carbonic acid;hydride
CID 173419808
silyloxy hydrogen carbonate
CID 173188657
dicalcium;dicarboxy oxalate;hydride
CID 173334486
aminooxy hydrogen carbonate
CID 141080921
methoxy hydrogen carbonate
CID 19018247
tricalcium;hydride;sulfo hydrogen carbonate;sulfuric acid
CID 175369181

Frequently Asked Questions

What is the IUPAC name of dicalcium;carboxyoxy hydrogen carbonate;hydride?
The IUPAC name of dicalcium;carboxyoxy hydrogen carbonate;hydride (CID 173048149) is dicalcium;carboxyoxy hydrogen carbonate;hydride.
What is the SMILES notation for dicalcium;carboxyoxy hydrogen carbonate;hydride?
The canonical SMILES for dicalcium;carboxyoxy hydrogen carbonate;hydride is O=C(O)OOC(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].
What is the InChIKey of dicalcium;carboxyoxy hydrogen carbonate;hydride?
The InChIKey is XTYMHAGGDCJJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O6.2Ca.4H/c3-1(4)7-8-2(5)6;;;;;;/h(H,3,4)(H,5,6);;;;;;/q;2*+2;4*-1.
What are the key properties of dicalcium;carboxyoxy hydrogen carbonate;hydride?
dicalcium;carboxyoxy hydrogen carbonate;hydride has a molecular weight of 206.22 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;carboxyoxy hydrogen carbonate;hydride is sourced from PubChem (CID 173048149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).