disodium;guanidine;diacetate

C5H11N3Na2O4 — CID 172858856

IUPACdisodium;guanidine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[H]N=C(N)N.[Na+].[Na+]
InChIInChI=1S/2C2H4O2.CH5N3.2Na/c2*1-2(3)4;2-1(3)4;;/h2*1H3,(H,3,4);(H5,2,3,4);;/q;;;2*+1/p-2
InChIKeyZBUFHWNXVGVHEN-UHFFFAOYSA-L
MW223.14 g/mol
LogP-9.64
Rot. Bonds

About disodium;guanidine;diacetate

disodium;guanidine;diacetate (PubChem CID 172858856) has the molecular formula C5H11N3Na2O4 and a molecular weight of 223.14 g/mol. Its IUPAC name is disodium;guanidine;diacetate.

Molecular Properties

Compound Namedisodium;guanidine;diacetate
PubChem CID172858856
Molecular FormulaC5H11N3Na2O4
Molecular Weight223.14 g/mol
Exact Mass223.05
IUPAC Namedisodium;guanidine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[H]N=C(N)N.[Na+].[Na+]
InChIInChI=1S/2C2H4O2.CH5N3.2Na/c2*1-2(3)4;2-1(3)4;;/h2*1H3,(H,3,4);(H5,2,3,4);;/q;;;2*+1/p-2
InChIKeyZBUFHWNXVGVHEN-UHFFFAOYSA-L
XLogP-9.64
TPSA156.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 5-9.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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trisodium;2-aminoacetate;diacetate
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acetic acid;octadecakis(guanidine)
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CID 174792068
azanium;urea;acetate
CID 87930546
tetrasodium;tetraacetate;hydrate
CID 141360802
sodium;alumane;acetate
CID 173418045
sodium;hydron;triacetate
CID 173121634
potassium;sodium;diacetate
CID 21470705
trisodium;acetate;carbonate
CID 169079974
sodium;acetate;trihydrate
CID 23665404
sodium;acetate;trihydrofluoride
CID 172761892

Frequently Asked Questions

What is the IUPAC name of disodium;guanidine;diacetate?
The IUPAC name of disodium;guanidine;diacetate (CID 172858856) is disodium;guanidine;diacetate.
What is the SMILES notation for disodium;guanidine;diacetate?
The canonical SMILES for disodium;guanidine;diacetate is CC(=O)[O-].CC(=O)[O-].[H]N=C(N)N.[Na+].[Na+].
What is the InChIKey of disodium;guanidine;diacetate?
The InChIKey is ZBUFHWNXVGVHEN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.CH5N3.2Na/c2*1-2(3)4;2-1(3)4;;/h2*1H3,(H,3,4);(H5,2,3,4);;/q;;;2*+1/p-2.
What are the key properties of disodium;guanidine;diacetate?
disodium;guanidine;diacetate has a molecular weight of 223.14 g/mol, XLogP of -9.64, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;guanidine;diacetate is sourced from PubChem (CID 172858856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).