sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate

C6H7NaO5 — CID 173086093

IUPACsodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate
SMILESCOC(=O)C1=C(O)COC1=O.[H-].[Na+]
InChIInChI=1S/C6H6O5.Na.H/c1-10-5(8)4-3(7)2-11-6(4)9;;/h7H,2H2,1H3;;/q;+1;-1
InChIKeyCKNUJMVEIFREQI-UHFFFAOYSA-N
MW182.11 g/mol
LogP-3.36
Rot. Bonds1

About sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate

sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate (PubChem CID 173086093) has the molecular formula C6H7NaO5 and a molecular weight of 182.11 g/mol. Its IUPAC name is sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate.

Molecular Properties

Compound Namesodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate
PubChem CID173086093
Molecular FormulaC6H7NaO5
Molecular Weight182.11 g/mol
Exact Mass182.02
IUPAC Namesodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate
SMILESCOC(=O)C1=C(O)COC1=O.[H-].[Na+]
InChIInChI=1S/C6H6O5.Na.H/c1-10-5(8)4-3(7)2-11-6(4)9;;/h7H,2H2,1H3;;/q;+1;-1
InChIKeyCKNUJMVEIFREQI-UHFFFAOYSA-N
XLogP-3.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 5-3.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[1-(3-hydroxy-5-oxo-2H-furan-4-yl)ethylideneamino]benzoate
CID 135707429
methyl 2-methyl-4-oxofuran-3-carboxylate
CID 91619935
dimethyl (Z)-2-(3-hydroxy-5-oxo-2H-furan-4-yl)-3-pyridin-1-ium-1-ylbut-2-enedioate
CID 101484545
(3-hydroxy-5-oxo-2H-furan-4-yl) 2-oxopropanoate
CID 142838456
3-hydroxy-N-(4-methylphenyl)-5-oxo-2H-furan-4-carbothioamide
CID 137277323
3-hydroxy-4-(C-methyl-N-propylcarbonimidoyl)-2H-furan-5-one
CID 135458291
4-hydroxy-3-methoxy-2H-furan-5-one
CID 86175362
1,3-dioxolan-2-one;methyl 2-hydroxybenzoate
CID 158443718
methyl 2-(2-chloroanilino)-4-oxofuran-3-carboxylate
CID 174709737
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
4-methoxycarbonyl-2H-chromene-3-carboxylic acid
CID 169275789
methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate
CID 70977330

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate?
The IUPAC name of sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate (CID 173086093) is sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate.
What is the SMILES notation for sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate?
The canonical SMILES for sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate is COC(=O)C1=C(O)COC1=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate?
The InChIKey is CKNUJMVEIFREQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5.Na.H/c1-10-5(8)4-3(7)2-11-6(4)9;;/h7H,2H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate?
sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate has a molecular weight of 182.11 g/mol, XLogP of -3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate is sourced from PubChem (CID 173086093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).