calcium;2-hydroxypropanoate;trihydrate

C3H11CaO6+ — CID 23621454

IUPACcalcium;2-hydroxypropanoate;trihydrate
SMILESCC(O)C(=O)[O-].O.O.O.[Ca+2]
InChIInChI=1S/C3H6O3.Ca.3H2O/c1-2(4)3(5)6;;;;/h2,4H,1H3,(H,5,6);;3*1H2/q;+2;;;/p-1
InChIKeyJLDMICKSGKMFLG-UHFFFAOYSA-M
MW183.19 g/mol
LogP-4.74
Rot. Bonds1

About calcium;2-hydroxypropanoate;trihydrate

calcium;2-hydroxypropanoate;trihydrate (PubChem CID 23621454) has the molecular formula C3H11CaO6+ and a molecular weight of 183.19 g/mol. Its IUPAC name is calcium;2-hydroxypropanoate;trihydrate.

Molecular Properties

Compound Namecalcium;2-hydroxypropanoate;trihydrate
PubChem CID23621454
Molecular FormulaC3H11CaO6+
Molecular Weight183.19 g/mol
Exact Mass183.02
IUPAC Namecalcium;2-hydroxypropanoate;trihydrate
SMILESCC(O)C(=O)[O-].O.O.O.[Ca+2]
InChIInChI=1S/C3H6O3.Ca.3H2O/c1-2(4)3(5)6;;;;/h2,4H,1H3,(H,5,6);;3*1H2/q;+2;;;/p-1
InChIKeyJLDMICKSGKMFLG-UHFFFAOYSA-M
XLogP-4.74
TPSA154.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 5-4.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;bis(2-hydroxypropanoate);pentahydrate
CID 12598284
bis(2-hydroxypropanoate);manganese(2+);hydrate
CID 161275678
magnesium;bis(2-hydroxypropanoate);hexahydrate
CID 172783503
dicalcium;2-hydroxypropanoate;carbonate
CID 19973760
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
potassium 2-hydroxypropanoate
CID 23671663
silver (2R)-2-hydroxypropanoate
CID 14178856
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680

Frequently Asked Questions

What is the IUPAC name of calcium;2-hydroxypropanoate;trihydrate?
The IUPAC name of calcium;2-hydroxypropanoate;trihydrate (CID 23621454) is calcium;2-hydroxypropanoate;trihydrate.
What is the SMILES notation for calcium;2-hydroxypropanoate;trihydrate?
The canonical SMILES for calcium;2-hydroxypropanoate;trihydrate is CC(O)C(=O)[O-].O.O.O.[Ca+2].
What is the InChIKey of calcium;2-hydroxypropanoate;trihydrate?
The InChIKey is JLDMICKSGKMFLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3.Ca.3H2O/c1-2(4)3(5)6;;;;/h2,4H,1H3,(H,5,6);;3*1H2/q;+2;;;/p-1.
What are the key properties of calcium;2-hydroxypropanoate;trihydrate?
calcium;2-hydroxypropanoate;trihydrate has a molecular weight of 183.19 g/mol, XLogP of -4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;2-hydroxypropanoate;trihydrate is sourced from PubChem (CID 23621454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).