disodium;ethane-1,2-diamine;diacetate;dihydrate

C6H18N2Na2O6 — CID 172826063

IUPACdisodium;ethane-1,2-diamine;diacetate;dihydrate
SMILESCC(=O)[O-].CC(=O)[O-].NCCN.O.O.[Na+].[Na+]
InChIInChI=1S/C2H8N2.2C2H4O2.2Na.2H2O/c3-1-2-4;2*1-2(3)4;;;;/h1-4H2;2*1H3,(H,3,4);;;2*1H2/q;;;2*+1;;/p-2
InChIKeyUWLZDRWWEDGOGJ-UHFFFAOYSA-L
MW260.20 g/mol
LogP-11.23
Rot. Bonds1

About disodium;ethane-1,2-diamine;diacetate;dihydrate

disodium;ethane-1,2-diamine;diacetate;dihydrate (PubChem CID 172826063) has the molecular formula C6H18N2Na2O6 and a molecular weight of 260.20 g/mol. Its IUPAC name is disodium;ethane-1,2-diamine;diacetate;dihydrate.

Molecular Properties

Compound Namedisodium;ethane-1,2-diamine;diacetate;dihydrate
PubChem CID172826063
Molecular FormulaC6H18N2Na2O6
Molecular Weight260.20 g/mol
Exact Mass260.10
IUPAC Namedisodium;ethane-1,2-diamine;diacetate;dihydrate
SMILESCC(=O)[O-].CC(=O)[O-].NCCN.O.O.[Na+].[Na+]
InChIInChI=1S/C2H8N2.2C2H4O2.2Na.2H2O/c3-1-2-4;2*1-2(3)4;;;;/h1-4H2;2*1H3,(H,3,4);;;2*1H2/q;;;2*+1;;/p-2
InChIKeyUWLZDRWWEDGOGJ-UHFFFAOYSA-L
XLogP-11.23
TPSA195.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-11.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
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bis(ethane-1,2-diamine);platinum(2+);diacetate
CID 175317527
calcium;sodium;acetic acid;ethane-1,2-diamine;triacetate
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diazanium;zinc;ethane-1,2-diamine;tetraacetate
CID 172851360
octaazanium;pentakis(ethane-1,2-diamine);tetrakis(iron(3+));icosaacetate
CID 173404224
trisodium;2-aminoacetate;diacetate
CID 20975811
sodium;acetate;trihydrate
CID 23665404
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Frequently Asked Questions

What is the IUPAC name of disodium;ethane-1,2-diamine;diacetate;dihydrate?
The IUPAC name of disodium;ethane-1,2-diamine;diacetate;dihydrate (CID 172826063) is disodium;ethane-1,2-diamine;diacetate;dihydrate.
What is the SMILES notation for disodium;ethane-1,2-diamine;diacetate;dihydrate?
The canonical SMILES for disodium;ethane-1,2-diamine;diacetate;dihydrate is CC(=O)[O-].CC(=O)[O-].NCCN.O.O.[Na+].[Na+].
What is the InChIKey of disodium;ethane-1,2-diamine;diacetate;dihydrate?
The InChIKey is UWLZDRWWEDGOGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8N2.2C2H4O2.2Na.2H2O/c3-1-2-4;2*1-2(3)4;;;;/h1-4H2;2*1H3,(H,3,4);;;2*1H2/q;;;2*+1;;/p-2.
What are the key properties of disodium;ethane-1,2-diamine;diacetate;dihydrate?
disodium;ethane-1,2-diamine;diacetate;dihydrate has a molecular weight of 260.20 g/mol, XLogP of -11.23, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethane-1,2-diamine;diacetate;dihydrate is sourced from PubChem (CID 172826063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).