Sodium 5-formyl-2-furansulfonate

C₅H₃NaO₅SCAS 31795-44-5198.12 g/mol

Open in Covalent MOL file

Aldehyde Sulfonic acid

Properties

Molecular formula: C₅H₃NaO₅S
Molar mass: 198.12 g/mol
Exact mass: 197.9599 Da
logP: -0.04Crippen estimate
Polar surface area: 84.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

31795-44-5

SMILES

[O-]S(=O)(=O)c1ccc(C=O)o1.[Na+]

InChIKey

NVEHHZVMTJYIQT-UHFFFAOYSA-N

InChI

InChI=1S/C5H4O5S.Na/c6-3-4-1-2-5(10-4)11(7,8)9;/h1-3H,(H,7,8,9);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

2-Furansulfonic acid, 5-formyl-, sodium salt (1:1)
2-Furansulfonic acid, 5-formyl-, sodium salt
5-Formyl-2-furansulfonic acid sodium salt

Work with Sodium 5-formyl-2-furansulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Furandicarboxaldehyde823-82-548 % similar Sodium 2-formylbenzenesulfonate1008-72-645 % similar Disodium 4-formyl-1,3-benzenedisulfonate33513-44-941 % similar 5-Methylfurfural620-02-040 % similar 5-Nitrofurfural698-63-538 % similar Sodium P-aminobenzenesulfonate515-74-238 % similar Sodium benzenesulfonate515-42-437 % similar 5-Ethyl-2-furaldehyde23074-10-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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