disodium;acetic acid;ethane-1,2-diamine;diacetate

C10H22N2Na2O8 — CID 91971119

IUPACdisodium;acetic acid;ethane-1,2-diamine;diacetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].NCCN.[Na+].[Na+]
InChIInChI=1S/C2H8N2.4C2H4O2.2Na/c3-1-2-4;4*1-2(3)4;;/h1-4H2;4*1H3,(H,3,4);;/q;;;;;2*+1/p-2
InChIKeyLNUIUONEPHRXHM-UHFFFAOYSA-L
MW344.27 g/mol
LogP-9.39
Rot. Bonds1

About disodium;acetic acid;ethane-1,2-diamine;diacetate

disodium;acetic acid;ethane-1,2-diamine;diacetate (PubChem CID 91971119) has the molecular formula C10H22N2Na2O8 and a molecular weight of 344.27 g/mol. Its IUPAC name is disodium;acetic acid;ethane-1,2-diamine;diacetate.

Molecular Properties

Compound Namedisodium;acetic acid;ethane-1,2-diamine;diacetate
PubChem CID91971119
Molecular FormulaC10H22N2Na2O8
Molecular Weight344.27 g/mol
Exact Mass344.12
IUPAC Namedisodium;acetic acid;ethane-1,2-diamine;diacetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].NCCN.[Na+].[Na+]
InChIInChI=1S/C2H8N2.4C2H4O2.2Na/c3-1-2-4;4*1-2(3)4;;/h1-4H2;4*1H3,(H,3,4);;/q;;;;;2*+1/p-2
InChIKeyLNUIUONEPHRXHM-UHFFFAOYSA-L
XLogP-9.39
TPSA206.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 5-9.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
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copper;ethane-1,2-diamine;diacetate
CID 160578350
tetrasodium;acetic acid;ethane-1,2-diamine;hydride
CID 173109232
ethane-1,2-diamine;nickel(2+);acetate
CID 23344047
disodium;acetic acid;cobalt;ethane-1,2-diamine;hydride
CID 173463386
diazanium;zinc;ethane-1,2-diamine;tetraacetate
CID 172851360
octaazanium;pentakis(ethane-1,2-diamine);tetrakis(iron(3+));icosaacetate
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acetic acid;ethane-1,2-diamine;ytterbium
CID 158635793
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CID 173443491

Frequently Asked Questions

What is the IUPAC name of disodium;acetic acid;ethane-1,2-diamine;diacetate?
The IUPAC name of disodium;acetic acid;ethane-1,2-diamine;diacetate (CID 91971119) is disodium;acetic acid;ethane-1,2-diamine;diacetate.
What is the SMILES notation for disodium;acetic acid;ethane-1,2-diamine;diacetate?
The canonical SMILES for disodium;acetic acid;ethane-1,2-diamine;diacetate is CC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].NCCN.[Na+].[Na+].
What is the InChIKey of disodium;acetic acid;ethane-1,2-diamine;diacetate?
The InChIKey is LNUIUONEPHRXHM-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8N2.4C2H4O2.2Na/c3-1-2-4;4*1-2(3)4;;/h1-4H2;4*1H3,(H,3,4);;/q;;;;;2*+1/p-2.
What are the key properties of disodium;acetic acid;ethane-1,2-diamine;diacetate?
disodium;acetic acid;ethane-1,2-diamine;diacetate has a molecular weight of 344.27 g/mol, XLogP of -9.39, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;acetic acid;ethane-1,2-diamine;diacetate is sourced from PubChem (CID 91971119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).