trisodium;formic acid;oxalate;acetate

C5H5Na3O8 — CID 163992541

IUPACtrisodium;formic acid;oxalate;acetate
SMILESCC(=O)[O-].O=C([O-])C(=O)[O-].O=CO.[Na+].[Na+].[Na+]
InChIInChI=1S/C2H2O4.C2H4O2.CH2O2.3Na/c3-1(4)2(5)6;1-2(3)4;2-1-3;;;/h(H,3,4)(H,5,6);1H3,(H,3,4);1H,(H,2,3);;;/q;;;3*+1/p-3
InChIKeyUBWQYZZDROQNCP-UHFFFAOYSA-K
MW262.06 g/mol
LogP-14.04
Rot. Bonds

About trisodium;formic acid;oxalate;acetate

trisodium;formic acid;oxalate;acetate (PubChem CID 163992541) has the molecular formula C5H5Na3O8 and a molecular weight of 262.06 g/mol. Its IUPAC name is trisodium;formic acid;oxalate;acetate.

Molecular Properties

Compound Nametrisodium;formic acid;oxalate;acetate
PubChem CID163992541
Molecular FormulaC5H5Na3O8
Molecular Weight262.06 g/mol
Exact Mass261.97
IUPAC Nametrisodium;formic acid;oxalate;acetate
SMILESCC(=O)[O-].O=C([O-])C(=O)[O-].O=CO.[Na+].[Na+].[Na+]
InChIInChI=1S/C2H2O4.C2H4O2.CH2O2.3Na/c3-1(4)2(5)6;1-2(3)4;2-1-3;;;/h(H,3,4)(H,5,6);1H3,(H,3,4);1H,(H,2,3);;;/q;;;3*+1/p-3
InChIKeyUBWQYZZDROQNCP-UHFFFAOYSA-K
XLogP-14.04
TPSA157.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 5-14.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 21470705
nonasodium;nonaacetate
CID 173443222
azanium;chromium(2+);oxalate;acetate
CID 157387989
sodium;hydron;triacetate
CID 173121634
sodium;acetate;trihydrate
CID 23665404
sodium;acetate;trihydrofluoride
CID 172761892
trisodium;acetate;carbonate
CID 169079974
potassium;methanol;acetate
CID 87290228
sodium;alumane;acetate
CID 173418045
disodium;sulfanide;acetate
CID 173135140
tetrasodium;tetraacetate;hydrate
CID 141360802
dizinc;acetate;formate
CID 23296678

Frequently Asked Questions

What is the IUPAC name of trisodium;formic acid;oxalate;acetate?
The IUPAC name of trisodium;formic acid;oxalate;acetate (CID 163992541) is trisodium;formic acid;oxalate;acetate.
What is the SMILES notation for trisodium;formic acid;oxalate;acetate?
The canonical SMILES for trisodium;formic acid;oxalate;acetate is CC(=O)[O-].O=C([O-])C(=O)[O-].O=CO.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;formic acid;oxalate;acetate?
The InChIKey is UBWQYZZDROQNCP-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H2O4.C2H4O2.CH2O2.3Na/c3-1(4)2(5)6;1-2(3)4;2-1-3;;;/h(H,3,4)(H,5,6);1H3,(H,3,4);1H,(H,2,3);;;/q;;;3*+1/p-3.
What are the key properties of trisodium;formic acid;oxalate;acetate?
trisodium;formic acid;oxalate;acetate has a molecular weight of 262.06 g/mol, XLogP of -14.04, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;formic acid;oxalate;acetate is sourced from PubChem (CID 163992541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).