dicalcium;2-hydroxypropanoate;carbonate

C4H5Ca2O6+ — CID 19973760

IUPACdicalcium;2-hydroxypropanoate;carbonate
SMILESCC(O)C(=O)[O-].O=C([O-])[O-].[Ca+2].[Ca+2]
InChIInChI=1S/C3H6O3.CH2O3.2Ca/c1-2(4)3(5)6;2-1(3)4;;/h2,4H,1H3,(H,5,6);(H2,2,3,4);;/q;;2*+2/p-3
InChIKeyVJIJJHQISSHRNM-UHFFFAOYSA-K
MW229.23 g/mol
LogP-5.09
Rot. Bonds1

About dicalcium;2-hydroxypropanoate;carbonate

dicalcium;2-hydroxypropanoate;carbonate (PubChem CID 19973760) has the molecular formula C4H5Ca2O6+ and a molecular weight of 229.23 g/mol. Its IUPAC name is dicalcium;2-hydroxypropanoate;carbonate.

Molecular Properties

Compound Namedicalcium;2-hydroxypropanoate;carbonate
PubChem CID19973760
Molecular FormulaC4H5Ca2O6+
Molecular Weight229.23 g/mol
Exact Mass228.93
IUPAC Namedicalcium;2-hydroxypropanoate;carbonate
SMILESCC(O)C(=O)[O-].O=C([O-])[O-].[Ca+2].[Ca+2]
InChIInChI=1S/C3H6O3.CH2O3.2Ca/c1-2(4)3(5)6;2-1(3)4;;/h2,4H,1H3,(H,5,6);(H2,2,3,4);;/q;;2*+2/p-3
InChIKeyVJIJJHQISSHRNM-UHFFFAOYSA-K
XLogP-5.09
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-5.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

calcium;2-hydroxypropanoate;trihydrate
CID 23621454
calcium;bis(2-hydroxypropanoate);pentahydrate
CID 12598284
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
silver (2R)-2-hydroxypropanoate
CID 14178856
potassium 2-hydroxypropanoate
CID 23671663
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528
gold(3+);tris(2-hydroxypropanoate)
CID 157164422

Frequently Asked Questions

What is the IUPAC name of dicalcium;2-hydroxypropanoate;carbonate?
The IUPAC name of dicalcium;2-hydroxypropanoate;carbonate (CID 19973760) is dicalcium;2-hydroxypropanoate;carbonate.
What is the SMILES notation for dicalcium;2-hydroxypropanoate;carbonate?
The canonical SMILES for dicalcium;2-hydroxypropanoate;carbonate is CC(O)C(=O)[O-].O=C([O-])[O-].[Ca+2].[Ca+2].
What is the InChIKey of dicalcium;2-hydroxypropanoate;carbonate?
The InChIKey is VJIJJHQISSHRNM-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H6O3.CH2O3.2Ca/c1-2(4)3(5)6;2-1(3)4;;/h2,4H,1H3,(H,5,6);(H2,2,3,4);;/q;;2*+2/p-3.
What are the key properties of dicalcium;2-hydroxypropanoate;carbonate?
dicalcium;2-hydroxypropanoate;carbonate has a molecular weight of 229.23 g/mol, XLogP of -5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;2-hydroxypropanoate;carbonate is sourced from PubChem (CID 19973760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).