calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate

C7H11CaO5+ — CID 56846586

IUPACcalcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
SMILESCC1(C)OCC([C@@H](O)C(=O)[O-])O1.[Ca+2]
InChIInChI=1S/C7H12O5.Ca/c1-7(2)11-3-4(12-7)5(8)6(9)10;/h4-5,8H,3H2,1-2H3,(H,9,10);/q;+2/p-1/t4?,5-;/m1./s1
InChIKeyYLIZBJBJZOHVIU-VVNPLDQHSA-M
MW215.24 g/mol
LogP-2.13
Rot. Bonds2

About calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate

calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate (PubChem CID 56846586) has the molecular formula C7H11CaO5+ and a molecular weight of 215.24 g/mol. Its IUPAC name is calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namecalcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
PubChem CID56846586
Molecular FormulaC7H11CaO5+
Molecular Weight215.24 g/mol
Exact Mass215.02
IUPAC Namecalcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
SMILESCC1(C)OCC([C@@H](O)C(=O)[O-])O1.[Ca+2]
InChIInChI=1S/C7H12O5.Ca/c1-7(2)11-3-4(12-7)5(8)6(9)10;/h4-5,8H,3H2,1-2H3,(H,9,10);/q;+2/p-1/t4?,5-;/m1./s1
InChIKeyYLIZBJBJZOHVIU-VVNPLDQHSA-M
XLogP-2.13
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 5-2.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
The IUPAC name of calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate (CID 56846586) is calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate.
What is the SMILES notation for calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
The canonical SMILES for calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate is CC1(C)OCC([C@@H](O)C(=O)[O-])O1.[Ca+2].
What is the InChIKey of calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
The InChIKey is YLIZBJBJZOHVIU-VVNPLDQHSA-M. The full InChI is InChI=1S/C7H12O5.Ca/c1-7(2)11-3-4(12-7)5(8)6(9)10;/h4-5,8H,3H2,1-2H3,(H,9,10);/q;+2/p-1/t4?,5-;/m1./s1.
What are the key properties of calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate has a molecular weight of 215.24 g/mol, XLogP of -2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium (2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate is sourced from PubChem (CID 56846586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).