sodium;oxaldehydate;hydrate

C2H3NaO4 — CID 23720423

IUPACsodium;oxaldehydate;hydrate
SMILESO.O=CC(=O)[O-].[Na+]
InChIInChI=1S/C2H2O3.Na.H2O/c3-1-2(4)5;;/h1H,(H,4,5);;1H2/q;+1;/p-1
InChIKeyVPWPWKBHCGJTTQ-UHFFFAOYSA-M
MW114.03 g/mol
LogP-5.89
Rot. Bonds1

About sodium;oxaldehydate;hydrate

sodium;oxaldehydate;hydrate (PubChem CID 23720423) has the molecular formula C2H3NaO4 and a molecular weight of 114.03 g/mol. Its IUPAC name is sodium;oxaldehydate;hydrate.

Molecular Properties

Compound Namesodium;oxaldehydate;hydrate
PubChem CID23720423
Molecular FormulaC2H3NaO4
Molecular Weight114.03 g/mol
Exact Mass113.99
IUPAC Namesodium;oxaldehydate;hydrate
SMILESO.O=CC(=O)[O-].[Na+]
InChIInChI=1S/C2H2O3.Na.H2O/c3-1-2(4)5;;/h1H,(H,4,5);;1H2/q;+1;/p-1
InChIKeyVPWPWKBHCGJTTQ-UHFFFAOYSA-M
XLogP-5.89
TPSA88.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.03
LogP ≤ 5-5.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 158085240
potassium;sodium;carbonate;hexahydrate
CID 18988965
calcium;but-2-enedioate;trihydrate
CID 74057853
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sodium;acetate;trihydrate
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Frequently Asked Questions

What is the IUPAC name of sodium;oxaldehydate;hydrate?
The IUPAC name of sodium;oxaldehydate;hydrate (CID 23720423) is sodium;oxaldehydate;hydrate.
What is the SMILES notation for sodium;oxaldehydate;hydrate?
The canonical SMILES for sodium;oxaldehydate;hydrate is O.O=CC(=O)[O-].[Na+].
What is the InChIKey of sodium;oxaldehydate;hydrate?
The InChIKey is VPWPWKBHCGJTTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2O3.Na.H2O/c3-1-2(4)5;;/h1H,(H,4,5);;1H2/q;+1;/p-1.
What are the key properties of sodium;oxaldehydate;hydrate?
sodium;oxaldehydate;hydrate has a molecular weight of 114.03 g/mol, XLogP of -5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;oxaldehydate;hydrate is sourced from PubChem (CID 23720423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).