tetrapotassium;acetic acid;ethane-1,2-diamine;hydride

C10H28K4N2O8 — CID 173066017

IUPACtetrapotassium;acetic acid;ethane-1,2-diamine;hydride
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C2H8N2.4C2H4O2.4K.4H/c3-1-2-4;4*1-2(3)4;;;;;;;;/h1-4H2;4*1H3,(H,3,4);;;;;;;;/q;;;;;4*+1;4*-1
InChIKeyWJYRFIWGWGEIBC-UHFFFAOYSA-N
MW460.73 g/mol
LogP-12.27
Rot. Bonds1

About tetrapotassium;acetic acid;ethane-1,2-diamine;hydride

tetrapotassium;acetic acid;ethane-1,2-diamine;hydride (PubChem CID 173066017) has the molecular formula C10H28K4N2O8 and a molecular weight of 460.73 g/mol. Its IUPAC name is tetrapotassium;acetic acid;ethane-1,2-diamine;hydride.

Molecular Properties

Compound Nametetrapotassium;acetic acid;ethane-1,2-diamine;hydride
PubChem CID173066017
Molecular FormulaC10H28K4N2O8
Molecular Weight460.73 g/mol
Exact Mass460.04
IUPAC Nametetrapotassium;acetic acid;ethane-1,2-diamine;hydride
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C2H8N2.4C2H4O2.4K.4H/c3-1-2-4;4*1-2(3)4;;;;;;;;/h1-4H2;4*1H3,(H,3,4);;;;;;;;/q;;;;;4*+1;4*-1
InChIKeyWJYRFIWGWGEIBC-UHFFFAOYSA-N
XLogP-12.27
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.73
LogP ≤ 5-12.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tetrapotassium;acetic acid;ethane-1,2-diamine;hydride?
The IUPAC name of tetrapotassium;acetic acid;ethane-1,2-diamine;hydride (CID 173066017) is tetrapotassium;acetic acid;ethane-1,2-diamine;hydride.
What is the SMILES notation for tetrapotassium;acetic acid;ethane-1,2-diamine;hydride?
The canonical SMILES for tetrapotassium;acetic acid;ethane-1,2-diamine;hydride is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;acetic acid;ethane-1,2-diamine;hydride?
The InChIKey is WJYRFIWGWGEIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4C2H4O2.4K.4H/c3-1-2-4;4*1-2(3)4;;;;;;;;/h1-4H2;4*1H3,(H,3,4);;;;;;;;/q;;;;;4*+1;4*-1.
What are the key properties of tetrapotassium;acetic acid;ethane-1,2-diamine;hydride?
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride has a molecular weight of 460.73 g/mol, XLogP of -12.27, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;acetic acid;ethane-1,2-diamine;hydride is sourced from PubChem (CID 173066017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).