potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate

C7H11KO5 — CID 165430844

IUPACpotassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
SMILESCC1(C)OC[C@@H]([C@@H](O)C(=O)[O-])O1.[K+]
InChIInChI=1S/C7H12O5.K/c1-7(2)11-3-4(12-7)5(8)6(9)10;/h4-5,8H,3H2,1-2H3,(H,9,10);/q;+1/p-1/t4-,5+;/m0./s1
InChIKeyLBMIYEJJUPOZAI-UYXJWNHNSA-M
MW214.26 g/mol
LogP-4.75
Rot. Bonds2

About potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate

potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate (PubChem CID 165430844) has the molecular formula C7H11KO5 and a molecular weight of 214.26 g/mol. Its IUPAC name is potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namepotassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
PubChem CID165430844
Molecular FormulaC7H11KO5
Molecular Weight214.26 g/mol
Exact Mass214.02
IUPAC Namepotassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
SMILESCC1(C)OC[C@@H]([C@@H](O)C(=O)[O-])O1.[K+]
InChIInChI=1S/C7H12O5.K/c1-7(2)11-3-4(12-7)5(8)6(9)10;/h4-5,8H,3H2,1-2H3,(H,9,10);/q;+1/p-1/t4-,5+;/m0./s1
InChIKeyLBMIYEJJUPOZAI-UYXJWNHNSA-M
XLogP-4.75
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-4.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
The IUPAC name of potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate (CID 165430844) is potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate.
What is the SMILES notation for potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
The canonical SMILES for potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate is CC1(C)OC[C@@H]([C@@H](O)C(=O)[O-])O1.[K+].
What is the InChIKey of potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
The InChIKey is LBMIYEJJUPOZAI-UYXJWNHNSA-M. The full InChI is InChI=1S/C7H12O5.K/c1-7(2)11-3-4(12-7)5(8)6(9)10;/h4-5,8H,3H2,1-2H3,(H,9,10);/q;+1/p-1/t4-,5+;/m0./s1.
What are the key properties of potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate has a molecular weight of 214.26 g/mol, XLogP of -4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate is sourced from PubChem (CID 165430844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).