sodium;acetic acid;ethane-1,2-diol;acetate

C6H13NaO6 — CID 174903059

IUPACsodium;acetic acid;ethane-1,2-diol;acetate
SMILESCC(=O)O.CC(=O)[O-].OCCO.[Na+]
InChIInChI=1S/2C2H4O2.C2H6O2.Na/c2*1-2(3)4;3-1-2-4;/h2*1H3,(H,3,4);3-4H,1-2H2;/q;;;+1/p-1
InChIKeyKXXOHZAIYHOZIE-UHFFFAOYSA-M
MW204.15 g/mol
LogP-5.18
Rot. Bonds1

About sodium;acetic acid;ethane-1,2-diol;acetate

sodium;acetic acid;ethane-1,2-diol;acetate (PubChem CID 174903059) has the molecular formula C6H13NaO6 and a molecular weight of 204.15 g/mol. Its IUPAC name is sodium;acetic acid;ethane-1,2-diol;acetate.

Molecular Properties

Compound Namesodium;acetic acid;ethane-1,2-diol;acetate
PubChem CID174903059
Molecular FormulaC6H13NaO6
Molecular Weight204.15 g/mol
Exact Mass204.06
IUPAC Namesodium;acetic acid;ethane-1,2-diol;acetate
SMILESCC(=O)O.CC(=O)[O-].OCCO.[Na+]
InChIInChI=1S/2C2H4O2.C2H6O2.Na/c2*1-2(3)4;3-1-2-4;/h2*1H3,(H,3,4);3-4H,1-2H2;/q;;;+1/p-1
InChIKeyKXXOHZAIYHOZIE-UHFFFAOYSA-M
XLogP-5.18
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 5-5.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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sodium;acetic acid;acetate
CID 173223990
disodium;acetic acid;diacetate;dihydrate
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cesium;acetic acid;acetate
CID 175712747
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Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;ethane-1,2-diol;acetate?
The IUPAC name of sodium;acetic acid;ethane-1,2-diol;acetate (CID 174903059) is sodium;acetic acid;ethane-1,2-diol;acetate.
What is the SMILES notation for sodium;acetic acid;ethane-1,2-diol;acetate?
The canonical SMILES for sodium;acetic acid;ethane-1,2-diol;acetate is CC(=O)O.CC(=O)[O-].OCCO.[Na+].
What is the InChIKey of sodium;acetic acid;ethane-1,2-diol;acetate?
The InChIKey is KXXOHZAIYHOZIE-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H4O2.C2H6O2.Na/c2*1-2(3)4;3-1-2-4;/h2*1H3,(H,3,4);3-4H,1-2H2;/q;;;+1/p-1.
What are the key properties of sodium;acetic acid;ethane-1,2-diol;acetate?
sodium;acetic acid;ethane-1,2-diol;acetate has a molecular weight of 204.15 g/mol, XLogP of -5.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;ethane-1,2-diol;acetate is sourced from PubChem (CID 174903059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).